2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide

C15H22N2O3S — CID 94804331

IUPAC2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide
SMILESNc1ccc(CS(=O)(=O)CC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c16-13-8-6-12(7-9-13)10-21(19,20)11-15(18)17-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11,16H2,(H,17,18)
InChIKeyOOAZQBJKHJDPAV-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.63
Rot. Bonds5

About 2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide

2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide (PubChem CID 94804331) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide
PubChem CID94804331
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide
SMILESNc1ccc(CS(=O)(=O)CC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c16-13-8-6-12(7-9-13)10-21(19,20)11-15(18)17-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11,16H2,(H,17,18)
InChIKeyOOAZQBJKHJDPAV-UHFFFAOYSA-N
XLogP1.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
2-[(4-aminophenyl)methylsulfonyl]acetohydrazide
CID 82177500
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride
CID 119741910
3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide
CID 5058061
2-[2-(cyclohexylamino)-2-oxoethyl]sulfonylacetic acid
CID 43186070
2-[(4-aminophenyl)methylsulfonyl]acetic acid
CID 82177716
2-[(4-aminophenyl)methylsulfonyl]-N-propylacetamide
CID 82178541
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide
CID 81191498
2-[(4-aminophenyl)methylsulfonyl]-N-benzylacetamide
CID 94804309
N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide
CID 71897999
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide (CID 94804331) is 2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide is Nc1ccc(CS(=O)(=O)CC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide?
The InChIKey is OOAZQBJKHJDPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c16-13-8-6-12(7-9-13)10-21(19,20)11-15(18)17-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11,16H2,(H,17,18).
What are the key properties of 2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide?
2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide has a molecular weight of 310.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide is sourced from PubChem (CID 94804331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).