4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide

C19H30N2O4S — CID 37257828

IUPAC4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)CC1
InChIInChI=1S/C19H30N2O4S/c1-4-5-6-14-7-9-15(10-8-14)19(22)20-16-11-12-17(18(13-16)25-2)21-26(3,23)24/h11-15,21H,4-10H2,1-3H3,(H,20,22)
InChIKeyXHLLPZBVPLKSSA-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.00
Rot. Bonds8

About 4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide

4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide (PubChem CID 37257828) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide
PubChem CID37257828
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)CC1
InChIInChI=1S/C19H30N2O4S/c1-4-5-6-14-7-9-15(10-8-14)19(22)20-16-11-12-17(18(13-16)25-2)21-26(3,23)24/h11-15,21H,4-10H2,1-3H3,(H,20,22)
InChIKeyXHLLPZBVPLKSSA-UHFFFAOYSA-N
XLogP4.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 19206893
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60509557
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-4-carboxamide;hydrochloride
CID 119298110
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
N-[4-(methanesulfonamido)-2-methoxyphenyl]pentanamide
CID 134990532
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 47055132
2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
CID 51132083

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide (CID 37257828) is 4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)CC1.
What is the InChIKey of 4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide?
The InChIKey is XHLLPZBVPLKSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-4-5-6-14-7-9-15(10-8-14)19(22)20-16-11-12-17(18(13-16)25-2)21-26(3,23)24/h11-15,21H,4-10H2,1-3H3,(H,20,22).
What are the key properties of 4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide?
4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 37257828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).