2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide

C10H15ClN2O4S2 — CID 78857238

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
SMILESCC(CO)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2O4S2/c1-7(6-14)12-9(15)5-13(2)19(16,17)10-4-3-8(11)18-10/h3-4,7,14H,5-6H2,1-2H3,(H,12,15)
InChIKeyIUJROVGLPRVSGY-UHFFFAOYSA-N
MW326.83 g/mol
LogP0.52
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide (PubChem CID 78857238) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
PubChem CID78857238
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
SMILESCC(CO)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2O4S2/c1-7(6-14)12-9(15)5-13(2)19(16,17)10-4-3-8(11)18-10/h3-4,7,14H,5-6H2,1-2H3,(H,12,15)
InChIKeyIUJROVGLPRVSGY-UHFFFAOYSA-N
XLogP0.52
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(dicyclopropylmethyl)acetamide
CID 30372779
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide
CID 55656231
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 38253630
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
N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide
CID 38204108
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 38503362
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 30160286
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 18102280

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide (CID 78857238) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide is CC(CO)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide?
The InChIKey is IUJROVGLPRVSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S2/c1-7(6-14)12-9(15)5-13(2)19(16,17)10-4-3-8(11)18-10/h3-4,7,14H,5-6H2,1-2H3,(H,12,15).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide has a molecular weight of 326.83 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 78857238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).