N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide

C15H22N2O3S — CID 60886370

IUPACN-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide
SMILESCc1cc(N)ccc1NC(=O)CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-11-9-12(16)7-8-14(11)17-15(18)10-21(19,20)13-5-3-2-4-6-13/h7-9,13H,2-6,10,16H2,1H3,(H,17,18)
InChIKeyBSJPTMPPPHODIU-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.26
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide

N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide (PubChem CID 60886370) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide
PubChem CID60886370
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide
SMILESCc1cc(N)ccc1NC(=O)CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-11-9-12(16)7-8-14(11)17-15(18)10-21(19,20)13-5-3-2-4-6-13/h7-9,13H,2-6,10,16H2,1H3,(H,17,18)
InChIKeyBSJPTMPPPHODIU-UHFFFAOYSA-N
XLogP2.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide
CID 63115519
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide
CID 104689012
N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide
CID 64696815
N-(4-amino-2-methylphenyl)propanamide
CID 839309
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 43574823
N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882930
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(4-amino-2-methylphenyl)acetamide
CID 65319594
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide (CID 60886370) is N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide is Cc1cc(N)ccc1NC(=O)CS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide?
The InChIKey is BSJPTMPPPHODIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-9-12(16)7-8-14(11)17-15(18)10-21(19,20)13-5-3-2-4-6-13/h7-9,13H,2-6,10,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide?
N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide has a molecular weight of 310.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide is sourced from PubChem (CID 60886370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).