2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide

C13H21ClN2O3S2 — CID 55656231

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide
SMILESCN(CC(=O)NCCC(C)(C)C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2O3S2/c1-13(2,3)7-8-15-11(17)9-16(4)21(18,19)12-6-5-10(14)20-12/h5-6H,7-9H2,1-4H3,(H,15,17)
InChIKeyISWZAVYQCYAFEA-UHFFFAOYSA-N
MW352.91 g/mol
LogP2.57
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide (PubChem CID 55656231) has the molecular formula C13H21ClN2O3S2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide
PubChem CID55656231
Molecular FormulaC13H21ClN2O3S2
Molecular Weight352.91 g/mol
Exact Mass352.07
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide
SMILESCN(CC(=O)NCCC(C)(C)C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2O3S2/c1-13(2,3)7-8-15-11(17)9-16(4)21(18,19)12-6-5-10(14)20-12/h5-6H,7-9H2,1-4H3,(H,15,17)
InChIKeyISWZAVYQCYAFEA-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 38253630
N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide
CID 38204108
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
N-[3-[benzyl(methyl)amino]propyl]-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 46532542
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-cyclohexyloxypropyl)acetamide
CID 31852144
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
CID 78857238
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(dicyclopropylmethyl)acetamide
CID 30372779
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-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 34242792

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide (CID 55656231) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide is CN(CC(=O)NCCC(C)(C)C)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide?
The InChIKey is ISWZAVYQCYAFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S2/c1-13(2,3)7-8-15-11(17)9-16(4)21(18,19)12-6-5-10(14)20-12/h5-6H,7-9H2,1-4H3,(H,15,17).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide has a molecular weight of 352.91 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide is sourced from PubChem (CID 55656231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).