2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide

C16H20N2O4S — CID 56800917

IUPAC2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CC2)cc1
InChIInChI=1S/C16H20N2O4S/c1-11(19)12-2-8-15(9-3-12)23(21,22)18(14-6-7-14)10-16(20)17-13-4-5-13/h2-3,8-9,13-14H,4-7,10H2,1H3,(H,17,20)
InChIKeyOMUWQQHGWOGMSV-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.32
Rot. Bonds7

About 2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide

2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide (PubChem CID 56800917) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide
PubChem CID56800917
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CC2)cc1
InChIInChI=1S/C16H20N2O4S/c1-11(19)12-2-8-15(9-3-12)23(21,22)18(14-6-7-14)10-16(20)17-13-4-5-13/h2-3,8-9,13-14H,4-7,10H2,1H3,(H,17,20)
InChIKeyOMUWQQHGWOGMSV-UHFFFAOYSA-N
XLogP1.32
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
CID 49073422
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-cycloheptylacetamide
CID 3917250
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55961219
N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
CID 18133694
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3837819
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1321078
4-[cyclopropyl(ethyl)sulfamoyl]-N-methylbenzamide
CID 24679124
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide (CID 56800917) is 2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide is CC(=O)c1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CC2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide?
The InChIKey is OMUWQQHGWOGMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11(19)12-2-8-15(9-3-12)23(21,22)18(14-6-7-14)10-16(20)17-13-4-5-13/h2-3,8-9,13-14H,4-7,10H2,1H3,(H,17,20).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide?
2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide has a molecular weight of 336.41 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 56800917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).