4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

C46H41Cl2F5N6O7S4 — CID 159595617

IUPAC4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(F)cc3F)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClF2N2O4S2.C22H20ClF3N4O3S2/c25-17-3-1-16(2-4-17)24(31)28-14-19-6-8-22(34-19)35(32,33)29-11-9-15(10-12-29)23(30)20-7-5-18(26)13-21(20)27;23-16-5-3-15(4-6-16)21(31)28-14-17-7-8-19(34-17)35(32,33)30-12-10-29(11-13-30)20-18(22(24,25)26)2-1-9-27-20/h1-8,13,15H,9-12,14H2,(H,28,31);1-9H,10-14H2,(H,28,31)
InChIKeyMKUKVRFLHJWSTA-UHFFFAOYSA-N
MW1084.03 g/mol
LogP9.15
Rot. Bonds13

About 4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (PubChem CID 159595617) has the molecular formula C46H41Cl2F5N6O7S4 and a molecular weight of 1084.03 g/mol. Its IUPAC name is 4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
PubChem CID159595617
Molecular FormulaC46H41Cl2F5N6O7S4
Molecular Weight1084.03 g/mol
Exact Mass1082.12
IUPAC Name4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(F)cc3F)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClF2N2O4S2.C22H20ClF3N4O3S2/c25-17-3-1-16(2-4-17)24(31)28-14-19-6-8-22(34-19)35(32,33)29-11-9-15(10-12-29)23(30)20-7-5-18(26)13-21(20)27;23-16-5-3-15(4-6-16)21(31)28-14-17-7-8-19(34-17)35(32,33)30-12-10-29(11-13-30)20-18(22(24,25)26)2-1-9-27-20/h1-8,13,15H,9-12,14H2,(H,28,31);1-9H,10-14H2,(H,28,31)
InChIKeyMKUKVRFLHJWSTA-UHFFFAOYSA-N
XLogP9.15
TPSA166.16 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001084.03
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide
CID 132464575
4-chloro-N-[[5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 9807445
4-chloro-N-[[5-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 9850400
4-chloro-N-[[5-[[2-oxo-2-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]ethyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
CID 9851139
4-chloro-N-[[5-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 9872130
4-chloro-N-[[5-[[2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]-2-oxoethyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
CID 9895125
4-chloro-N-[[5-[[2-oxo-2-[2-[[3-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]ethyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
CID 9916181
4-chloro-N-[[5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 11433163
4-chloro-N-[[5-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 57443817
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 66832335
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 66832676
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 66832857

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (CID 159595617) is 4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(F)cc3F)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The InChIKey is MKUKVRFLHJWSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2N2O4S2.C22H20ClF3N4O3S2/c25-17-3-1-16(2-4-17)24(31)28-14-19-6-8-22(34-19)35(32,33)29-11-9-15(10-12-29)23(30)20-7-5-18(26)13-21(20)27;23-16-5-3-15(4-6-16)21(31)28-14-17-7-8-19(34-17)35(32,33)30-12-10-29(11-13-30)20-18(22(24,25)26)2-1-9-27-20/h1-8,13,15H,9-12,14H2,(H,28,31);1-9H,10-14H2,(H,28,31).
What are the key properties of 4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide has a molecular weight of 1084.03 g/mol, XLogP of 9.15, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 159595617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).