4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

C24H31N3O5S — CID 124650011

IUPAC4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O5S/c1-17(23(28)27-20-12-14-21(32-2)15-13-20)26-24(29)19-10-8-18(9-11-19)16-25-33(30,31)22-6-4-3-5-7-22/h3-7,12-15,17-19,25H,8-11,16H2,1-2H3,(H,26,29)(H,27,28)/t17-,18?,19?/m1/s1
InChIKeyXIRPMCFAZOEDPY-LMDPOFIKSA-N
MW473.60 g/mol
LogP2.92
Rot. Bonds9

About 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (PubChem CID 124650011) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
PubChem CID124650011
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O5S/c1-17(23(28)27-20-12-14-21(32-2)15-13-20)26-24(29)19-10-8-18(9-11-19)16-25-33(30,31)22-6-4-3-5-7-22/h3-7,12-15,17-19,25H,8-11,16H2,1-2H3,(H,26,29)(H,27,28)/t17-,18?,19?/m1/s1
InChIKeyXIRPMCFAZOEDPY-LMDPOFIKSA-N
XLogP2.92
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124649627
4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 73402238
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124651597
N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 124649867
4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 5323358
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 124649118
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
4-(benzenesulfonamidomethyl)-N-[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 51829674
4-(benzenesulfonamidomethyl)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 45371248
4-(benzenesulfonamidomethyl)-N-[(2S)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]cyclohexane-1-carboxamide
CID 41111646
4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 11327244
(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
CID 167949883

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (CID 124650011) is 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is COc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is XIRPMCFAZOEDPY-LMDPOFIKSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-17(23(28)27-20-12-14-21(32-2)15-13-20)26-24(29)19-10-8-18(9-11-19)16-25-33(30,31)22-6-4-3-5-7-22/h3-7,12-15,17-19,25H,8-11,16H2,1-2H3,(H,26,29)(H,27,28)/t17-,18?,19?/m1/s1.
What are the key properties of 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 124650011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).