N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide

C56H58Cl2FN5O3S2 — CID 162035632

IUPACN-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide
SMILESCC(C)(C)C(=O)NC1CCCN(C(=O)c2ccc(-c3csc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3Cl)cs2)ccn1
InChIInChI=1S/C30H36ClN3O2S.C26H22ClFN2OS/c1-29(2,3)26-16-19(11-12-32-26)25-15-21(18-37-25)23-10-9-20(14-24(23)31)27(35)34-13-7-8-22(17-34)33-28(36)30(4,5)6;1-26(2,3)24-14-16(10-11-29-24)23-13-18(15-32-23)21-9-4-17(12-22(21)27)25(31)30-20-7-5-19(28)6-8-20/h9-12,14-16,18,22H,7-8,13,17H2,1-6H3,(H,33,36);4-15H,1-3H3,(H,30,31)
InChIKeyYWPKHDGJGNUTMC-UHFFFAOYSA-N
MW1003.15 g/mol
LogP15.01
Rot. Bonds8

About N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide

N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide (PubChem CID 162035632) has the molecular formula C56H58Cl2FN5O3S2 and a molecular weight of 1003.15 g/mol. Its IUPAC name is N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide
PubChem CID162035632
Molecular FormulaC56H58Cl2FN5O3S2
Molecular Weight1003.15 g/mol
Exact Mass1001.33
IUPAC NameN-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide
SMILESCC(C)(C)C(=O)NC1CCCN(C(=O)c2ccc(-c3csc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3Cl)cs2)ccn1
InChIInChI=1S/C30H36ClN3O2S.C26H22ClFN2OS/c1-29(2,3)26-16-19(11-12-32-26)25-15-21(18-37-25)23-10-9-20(14-24(23)31)27(35)34-13-7-8-22(17-34)33-28(36)30(4,5)6;1-26(2,3)24-14-16(10-11-29-24)23-13-18(15-32-23)21-9-4-17(12-22(21)27)25(31)30-20-7-5-19(28)6-8-20/h9-12,14-16,18,22H,7-8,13,17H2,1-6H3,(H,33,36);4-15H,1-3H3,(H,30,31)
InChIKeyYWPKHDGJGNUTMC-UHFFFAOYSA-N
XLogP15.01
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.15
LogP ≤ 515.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide with MolForge

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Related Compounds

[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluorophenyl]-2-pyridinyl]methanone
CID 16040943
4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide
CID 134263525
[4-(4-Bromothiophen-2-yl)-3-chlorophenyl]-(4,4-difluoropiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 134263571
[4-[4-(2-Tert-butylpyridin-4-yl)thiophen-2-yl]-3-chlorophenyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 134263573
[4-[5-(2-Tert-butylpyridin-4-yl)thiophen-3-yl]-3-chlorophenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 134273160
[4-[5-(2-Tert-butylpyridin-4-yl)thiophen-3-yl]-3-chlorophenyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 134273161
3-(N-[4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorobenzoyl]-4-fluoroanilino)propanoic acid
CID 134273205
3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-phenylpentanoyl]amino]propyl]-3,5-dimethylbenzamide
CID 167611297
N-[4-chloro-2-[5-[5-[5-chloro-2-(pyridine-2-carbonylamino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pyridine-2-carboxamide
CID 166438331
[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[(3R)-3-[(4-chlorophenyl)methylamino]piperidin-1-yl]methanone
CID 134263518
[4-[5-(2-Tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[(4-chlorophenyl)methylamino]piperidin-1-yl]methanone
CID 134263524
[(3S)-3-aminopiperidin-1-yl]-[4-[4-(2-tert-butyl-4-pyridinyl)-5-methylthiophen-2-yl]-3-chlorophenyl]methanone
CID 134263532

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide?
The IUPAC name of N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide (CID 162035632) is N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide?
The canonical SMILES for N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide is CC(C)(C)C(=O)NC1CCCN(C(=O)c2ccc(-c3csc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3Cl)cs2)ccn1.
What is the InChIKey of N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide?
The InChIKey is YWPKHDGJGNUTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClN3O2S.C26H22ClFN2OS/c1-29(2,3)26-16-19(11-12-32-26)25-15-21(18-37-25)23-10-9-20(14-24(23)31)27(35)34-13-7-8-22(17-34)33-28(36)30(4,5)6;1-26(2,3)24-14-16(10-11-29-24)23-13-18(15-32-23)21-9-4-17(12-22(21)27)25(31)30-20-7-5-19(28)6-8-20/h9-12,14-16,18,22H,7-8,13,17H2,1-6H3,(H,33,36);4-15H,1-3H3,(H,30,31).
What are the key properties of N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide?
N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide has a molecular weight of 1003.15 g/mol, XLogP of 15.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 162035632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).