2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C20H29N3O4S — CID 7919293

IUPAC2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC=CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H29N3O4S/c1-4-13-23(14-20(25)22-19-8-6-5-7-15(19)2)28(26,27)18-11-9-17(10-12-18)21-16(3)24/h4,9-12,15,19H,1,5-8,13-14H2,2-3H3,(H,21,24)(H,22,25)/t15-,19-/m1/s1
InChIKeyJTLONXGQXQBARU-DNVCBOLYSA-N
MW407.54 g/mol
LogP2.52
Rot. Bonds8

About 2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 7919293) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID7919293
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC=CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H29N3O4S/c1-4-13-23(14-20(25)22-19-8-6-5-7-15(19)2)28(26,27)18-11-9-17(10-12-18)21-16(3)24/h4,9-12,15,19H,1,5-8,13-14H2,2-3H3,(H,21,24)(H,22,25)/t15-,19-/m1/s1
InChIKeyJTLONXGQXQBARU-DNVCBOLYSA-N
XLogP2.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 4786607
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide
CID 42989106
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide
CID 17433895
N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
CID 7919284
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
CID 17443852
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 43037231
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42971231
N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
CID 4924122
N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
CID 7687450
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9167461
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557433

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 7919293) is 2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is C=CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is JTLONXGQXQBARU-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-4-13-23(14-20(25)22-19-8-6-5-7-15(19)2)28(26,27)18-11-9-17(10-12-18)21-16(3)24/h4,9-12,15,19H,1,5-8,13-14H2,2-3H3,(H,21,24)(H,22,25)/t15-,19-/m1/s1.
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 7919293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).