5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide

C21H26N2O3S — CID 120632747

IUPAC5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C21H26N2O3S/c1-15-10-11-17(22)13-20(15)21(24)23-18-7-5-6-16(12-18)14-27(25,26)19-8-3-2-4-9-19/h5-7,10-13,19H,2-4,8-9,14,22H2,1H3,(H,23,24)
InChIKeyQPODCWTYZGGFHF-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.08
Rot. Bonds5

About 5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide

5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide (PubChem CID 120632747) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide
PubChem CID120632747
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C21H26N2O3S/c1-15-10-11-17(22)13-20(15)21(24)23-18-7-5-6-16(12-18)14-27(25,26)19-8-3-2-4-9-19/h5-7,10-13,19H,2-4,8-9,14,22H2,1H3,(H,23,24)
InChIKeyQPODCWTYZGGFHF-UHFFFAOYSA-N
XLogP4.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.08
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

1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide
CID 119784532
5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 120626212
methyl 5-(cyclohexylsulfonylmethyl)-2-methylbenzoate
CID 167851587
2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119324202
N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119784568
1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea
CID 146087942
methyl 3-[[3-[(5-amino-2-methylbenzoyl)amino]phenyl]methylsulfanyl]propanoate
CID 120631083
5-amino-2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 120616618
5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide
CID 120624848
5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride
CID 119438257
N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide
CID 60886370
5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide (CID 120632747) is 5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1.
What is the InChIKey of 5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide?
The InChIKey is QPODCWTYZGGFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-10-11-17(22)13-20(15)21(24)23-18-7-5-6-16(12-18)14-27(25,26)19-8-3-2-4-9-19/h5-7,10-13,19H,2-4,8-9,14,22H2,1H3,(H,23,24).
What are the key properties of 5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide?
5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 120632747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).