3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C20H32N2O3S — CID 113137458

IUPAC3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C20H32N2O3S/c1-15(2)18-12-8-9-16(3)20(18)21-19(23)13-14-22(26(4,24)25)17-10-6-5-7-11-17/h8-9,12,15,17H,5-7,10-11,13-14H2,1-4H3,(H,21,23)
InChIKeyBNBRFNANCOVPAT-UHFFFAOYSA-N
MW380.55 g/mol
LogP4.04
Rot. Bonds7

About 3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 113137458) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is 3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID113137458
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Name3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C20H32N2O3S/c1-15(2)18-12-8-9-16(3)20(18)21-19(23)13-14-22(26(4,24)25)17-10-6-5-7-11-17/h8-9,12,15,17H,5-7,10-11,13-14H2,1-4H3,(H,21,23)
InChIKeyBNBRFNANCOVPAT-UHFFFAOYSA-N
XLogP4.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(methylsulfonyl)amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 113136412
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113141183
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
CID 112789085
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 113153099
N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137514
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
2-[acetyl(cyclohexyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113159574
N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 2652799
3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137315
3-[cycloheptyl(methylsulfonyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113141075

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 113137458) is 3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is Cc1cccc(C(C)C)c1NC(=O)CCN(C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is BNBRFNANCOVPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-15(2)18-12-8-9-16(3)20(18)21-19(23)13-14-22(26(4,24)25)17-10-6-5-7-11-17/h8-9,12,15,17H,5-7,10-11,13-14H2,1-4H3,(H,21,23).
What are the key properties of 3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 380.55 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113137458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).