2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide

C12H12ClN3O4S2 — CID 30160286

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ncccc1O)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClN3O4S2/c1-16(22(19,20)11-5-4-9(13)21-11)7-10(18)15-12-8(17)3-2-6-14-12/h2-6,17H,7H2,1H3,(H,14,15,18)
InChIKeyQIXYSIQTIGHSFT-UHFFFAOYSA-N
MW361.83 g/mol
LogP1.76
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide (PubChem CID 30160286) has the molecular formula C12H12ClN3O4S2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide
PubChem CID30160286
Molecular FormulaC12H12ClN3O4S2
Molecular Weight361.83 g/mol
Exact Mass361.00
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ncccc1O)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClN3O4S2/c1-16(22(19,20)11-5-4-9(13)21-11)7-10(18)15-12-8(17)3-2-6-14-12/h2-6,17H,7H2,1H3,(H,14,15,18)
InChIKeyQIXYSIQTIGHSFT-UHFFFAOYSA-N
XLogP1.76
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 51158900
N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 9412118
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591
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-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 55750268
N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46584820
N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 86983067
(2-chlorophenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 18227111
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
CID 78857238
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide
CID 55656231

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide (CID 30160286) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide is CN(CC(=O)Nc1ncccc1O)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide?
The InChIKey is QIXYSIQTIGHSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4S2/c1-16(22(19,20)11-5-4-9(13)21-11)7-10(18)15-12-8(17)3-2-6-14-12/h2-6,17H,7H2,1H3,(H,14,15,18).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide has a molecular weight of 361.83 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide is sourced from PubChem (CID 30160286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).