N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide

C18H28N2O3S — CID 53110461

IUPACN-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
SMILESCCC(C)NC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCCCC1
InChIInChI=1S/C18H28N2O3S/c1-4-14(2)19-17(21)18(12-6-5-7-13-18)15-8-10-16(11-9-15)20-24(3,22)23/h8-11,14,20H,4-7,12-13H2,1-3H3,(H,19,21)
InChIKeySCMRRADCFDSWGP-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.17
Rot. Bonds6

About N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide

N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide (PubChem CID 53110461) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
PubChem CID53110461
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
SMILESCCC(C)NC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCCCC1
InChIInChI=1S/C18H28N2O3S/c1-4-14(2)19-17(21)18(12-6-5-7-13-18)15-8-10-16(11-9-15)20-24(3,22)23/h8-11,14,20H,4-7,12-13H2,1-3H3,(H,19,21)
InChIKeySCMRRADCFDSWGP-UHFFFAOYSA-N
XLogP3.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide
CID 95086493
N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895376
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 95086523
N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92503889
N-butan-2-yl-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971624
N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378154
N-[(2R)-butan-2-yl]-1-[4-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895402
1-[4-(benzenesulfonamido)phenyl]-N-butan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061902
N-butan-2-yl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061910
N-butan-2-yl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061908
N-[(2S)-butan-2-yl]-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895379
N-[(2R)-butan-2-yl]-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895378

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide (CID 53110461) is N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide is CCC(C)NC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCCCC1.
What is the InChIKey of N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide?
The InChIKey is SCMRRADCFDSWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-14(2)19-17(21)18(12-6-5-7-13-18)15-8-10-16(11-9-15)20-24(3,22)23/h8-11,14,20H,4-7,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide?
N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 53110461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).