N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide

C20H32N2O3S — CID 99956862

IUPACN-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide
SMILESCc1ccc(N(CCCC(=O)N(C)C2CCCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C20H32N2O3S/c1-16-12-13-19(15-17(16)2)22(26(4,24)25)14-8-11-20(23)21(3)18-9-6-5-7-10-18/h12-13,15,18H,5-11,14H2,1-4H3
InChIKeyODYDCJVJASVJDJ-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.64
Rot. Bonds7

About N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide

N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide (PubChem CID 99956862) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide
PubChem CID99956862
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide
SMILESCc1ccc(N(CCCC(=O)N(C)C2CCCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C20H32N2O3S/c1-16-12-13-19(15-17(16)2)22(26(4,24)25)14-8-11-20(23)21(3)18-9-6-5-7-10-18/h12-13,15,18H,5-11,14H2,1-4H3
InChIKeyODYDCJVJASVJDJ-UHFFFAOYSA-N
XLogP3.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 28632212
N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142233
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53281030
N-benzyl-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-(3,4-dimethyl-N-methylsulfonylanilino)butanamide
CID 100574259
(2R)-2-[benzyl-[4-(3,4-dimethyl-N-methylsulfonylanilino)butanoyl]amino]-N-cyclohexylbutanamide
CID 100526314
N-benzyl-N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-(3,4-dimethyl-N-methylsulfonylanilino)butanamide
CID 133175792
(2S)-N-cyclohexyl-2-[4-(3,4-dimethyl-N-methylsulfonylanilino)butanoyl-[(2-methylphenyl)methyl]amino]butanamide
CID 100533218
N-[(3-bromophenyl)methyl]-N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(3,4-dimethyl-N-methylsulfonylanilino)butanamide
CID 125069807
N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 125092222
N-cyclopentyl-2-[4-(3,4-dimethyl-N-methylsulfonylanilino)butanoyl-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132628227
N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]butanamide
CID 125058990
2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 92672264

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide?
The IUPAC name of N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide (CID 99956862) is N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide.
What is the SMILES notation for N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide?
The canonical SMILES for N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide is Cc1ccc(N(CCCC(=O)N(C)C2CCCCC2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide?
The InChIKey is ODYDCJVJASVJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-16-12-13-19(15-17(16)2)22(26(4,24)25)14-8-11-20(23)21(3)18-9-6-5-7-10-18/h12-13,15,18H,5-11,14H2,1-4H3.
What are the key properties of N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide?
N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide has a molecular weight of 380.55 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide is sourced from PubChem (CID 99956862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).