2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide

C25H22Cl2N6O4S2 — CID 156744747

IUPAC2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)cc(S(=O)(=O)c2ccc(Cl)cc2)c1)c1ncnn1-c1ncc(C(=O)N(C)C2CC2)s1
InChIInChI=1S/C25H22Cl2N6O4S2/c1-14(22-29-13-30-33(22)25-28-12-21(38-25)24(35)32(2)18-5-6-18)31-23(34)15-9-17(27)11-20(10-15)39(36,37)19-7-3-16(26)4-8-19/h3-4,7-14,18H,5-6H2,1-2H3,(H,31,34)/t14-/m0/s1
InChIKeyUVMGEOYDVVWPCT-AWEZNQCLSA-N
MW605.53 g/mol
LogP4.59
Rot. Bonds8

About 2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide

2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 156744747) has the molecular formula C25H22Cl2N6O4S2 and a molecular weight of 605.53 g/mol. Its IUPAC name is 2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID156744747
Molecular FormulaC25H22Cl2N6O4S2
Molecular Weight605.53 g/mol
Exact Mass604.05
IUPAC Name2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)cc(S(=O)(=O)c2ccc(Cl)cc2)c1)c1ncnn1-c1ncc(C(=O)N(C)C2CC2)s1
InChIInChI=1S/C25H22Cl2N6O4S2/c1-14(22-29-13-30-33(22)25-28-12-21(38-25)24(35)32(2)18-5-6-18)31-23(34)15-9-17(27)11-20(10-15)39(36,37)19-7-3-16(26)4-8-19/h3-4,7-14,18H,5-6H2,1-2H3,(H,31,34)/t14-/m0/s1
InChIKeyUVMGEOYDVVWPCT-AWEZNQCLSA-N
XLogP4.59
TPSA127.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

CID 156744750
CID 156744750
N-cyclopropyl-2-[5-[(1S)-1-[[3-cyclopropyl-5-(trifluoromethoxy)benzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 156744692
3-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-cyclopropylsulfonylbenzamide
CID 164930561
3-chloro-N-[(1S)-1-[2-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethylsulfonyl)benzamide
CID 167376954
3-chloro-5-[chloro(difluoro)methyl]-N-[(1S)-1-[2-(5-cyano-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 156744731
3-chloro-N-[(1R)-1-[2-(5-methylpyrimidin-2-yl)-1,2,4-triazol-3-yl]ethyl]-5-methylsulfonylbenzamide;sulfane
CID 158639202
6-[5-[(1S)-1-[[3-chloro-5-(trifluoromethyl)benzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-ethylpyridine-3-carboxamide
CID 148709533
3-chloro-5-methylsulfonyl-N-[(1R)-1-[2-[5-(trifluoromethyl)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethyl]benzamide;sulfane
CID 157446243
3-chloro-N-[(1R)-1-[2-(2-chloro-4-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethylsulfonyl)benzamide;sulfane
CID 157484161
3-chloro-N-[(1S)-1-[2-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)benzamide;sulfane
CID 160601467
N-cyclopropyl-2-[5-[(1S)-1-[[3-cyclopropyl-5-(trifluoromethoxy)benzoyl]amino]ethyl]-3-methyl-1,2,4-triazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 167376966
3,5-dichloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 162496214

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide (CID 156744747) is 2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide is C[C@H](NC(=O)c1cc(Cl)cc(S(=O)(=O)c2ccc(Cl)cc2)c1)c1ncnn1-c1ncc(C(=O)N(C)C2CC2)s1.
What is the InChIKey of 2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UVMGEOYDVVWPCT-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H22Cl2N6O4S2/c1-14(22-29-13-30-33(22)25-28-12-21(38-25)24(35)32(2)18-5-6-18)31-23(34)15-9-17(27)11-20(10-15)39(36,37)19-7-3-16(26)4-8-19/h3-4,7-14,18H,5-6H2,1-2H3,(H,31,34)/t14-/m0/s1.
What are the key properties of 2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide?
2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 605.53 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1S)-1-[[3-chloro-5-(4-chlorophenyl)sulfonylbenzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156744747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).