4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide

C24H33N3O5S — CID 124651648

IUPAC4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccco1
InChIInChI=1S/C24H33N3O5S/c1-17(2)22(24(29)25-16-20-7-6-14-32-20)27-23(28)19-12-10-18(11-13-19)15-26-33(30,31)21-8-4-3-5-9-21/h3-9,14,17-19,22,26H,10-13,15-16H2,1-2H3,(H,25,29)(H,27,28)/t18?,19?,22-/m1/s1
InChIKeyCCPKINZVUSHSOQ-OBFZPWGMSA-N
MW475.61 g/mol
LogP2.82
Rot. Bonds10

About 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide

4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide (PubChem CID 124651648) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide
PubChem CID124651648
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccco1
InChIInChI=1S/C24H33N3O5S/c1-17(2)22(24(29)25-16-20-7-6-14-32-20)27-23(28)19-12-10-18(11-13-19)15-26-33(30,31)21-8-4-3-5-9-21/h3-9,14,17-19,22,26H,10-13,15-16H2,1-2H3,(H,25,29)(H,27,28)/t18?,19?,22-/m1/s1
InChIKeyCCPKINZVUSHSOQ-OBFZPWGMSA-N
XLogP2.82
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 7064745
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-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 6624440
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124649627
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124650011
4-(benzenesulfonamidomethyl)-N-[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 51829674
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
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
4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 5323358

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide (CID 124651648) is 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide is CC(C)[C@@H](NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccco1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is CCPKINZVUSHSOQ-OBFZPWGMSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-17(2)22(24(29)25-16-20-7-6-14-32-20)27-23(28)19-12-10-18(11-13-19)15-26-33(30,31)21-8-4-3-5-9-21/h3-9,14,17-19,22,26H,10-13,15-16H2,1-2H3,(H,25,29)(H,27,28)/t18?,19?,22-/m1/s1.
What are the key properties of 4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 475.61 g/mol, XLogP of 2.82, 10 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-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 124651648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).