2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

C16H16ClN5O3S2 — CID 55813723

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(Cn2cncn2)c1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H16ClN5O3S2/c1-21(27(24,25)16-6-5-14(17)26-16)9-15(23)20-13-4-2-3-12(7-13)8-22-11-18-10-19-22/h2-7,10-11H,8-9H2,1H3,(H,20,23)
InChIKeyAYXAGHMWKIIYAI-UHFFFAOYSA-N
MW425.92 g/mol
LogP2.30
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (PubChem CID 55813723) has the molecular formula C16H16ClN5O3S2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
PubChem CID55813723
Molecular FormulaC16H16ClN5O3S2
Molecular Weight425.92 g/mol
Exact Mass425.04
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(Cn2cncn2)c1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H16ClN5O3S2/c1-21(27(24,25)16-6-5-14(17)26-16)9-15(23)20-13-4-2-3-12(7-13)8-22-11-18-10-19-22/h2-7,10-11H,8-9H2,1H3,(H,20,23)
InChIKeyAYXAGHMWKIIYAI-UHFFFAOYSA-N
XLogP2.30
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 9412118
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55812298
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591
N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46584820
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 79205206
methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 38238252
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 51158900
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736
2-[2-(methanesulfonamido)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 75463300
(2S)-2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 79024231
2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55814190

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (CID 55813723) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is CN(CC(=O)Nc1cccc(Cn2cncn2)c1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is AYXAGHMWKIIYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3S2/c1-21(27(24,25)16-6-5-14(17)26-16)9-15(23)20-13-4-2-3-12(7-13)8-22-11-18-10-19-22/h2-7,10-11H,8-9H2,1H3,(H,20,23).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 425.92 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 55813723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).