N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide

C25H32N2O3S — CID 59656336

IUPACN-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC2CCCCC2)c2c1CCCC2
InChIInChI=1S/C25H32N2O3S/c1-18-9-5-6-12-20(18)25(28)27-23-15-16-24(22-14-8-7-13-21(22)23)31(29,30)26-17-19-10-3-2-4-11-19/h5-6,9,12,15-16,19,26H,2-4,7-8,10-11,13-14,17H2,1H3,(H,27,28)
InChIKeyZHZCENLNKUIARD-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.98
Rot. Bonds6

About N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide

N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide (PubChem CID 59656336) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide
PubChem CID59656336
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC NameN-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC2CCCCC2)c2c1CCCC2
InChIInChI=1S/C25H32N2O3S/c1-18-9-5-6-12-20(18)25(28)27-23-15-16-24(22-14-8-7-13-21(22)23)31(29,30)26-17-19-10-3-2-4-11-19/h5-6,9,12,15-16,19,26H,2-4,7-8,10-11,13-14,17H2,1H3,(H,27,28)
InChIKeyZHZCENLNKUIARD-UHFFFAOYSA-N
XLogP4.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methylbenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-1-sulfonic acid
CID 59656534
N,N-dimethyl-2-[[4-[(2-methylbenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide
CID 90949290
ethyl (5S)-5-[[4-[(2-methylbenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]sulfonylamino]-9-azadispiro[2.0.24.43]decane-9-carboxylate
CID 142919232
tert-butyl 3-[[7-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-inden-4-yl]sulfonylamino]pyrrolidine-1-carboxylate
CID 59717999
2-ethyl-5-[(2-methylbenzoyl)amino]-3,4-dihydro-1H-isoquinoline-8-sulfonyl chloride
CID 87229726
methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate
CID 166926475
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
N-[5-(cyclohexylmethylsulfamoyl)naphthalen-1-yl]acetamide
CID 69047545
4-[3-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propyl]piperidine-1-carboxamide
CID 90993185
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
methyl 5-(cyclohexylmethylsulfamoyl)-2-methylbenzoate
CID 100566433
N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
CID 167339679

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide?
The IUPAC name of N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide (CID 59656336) is N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC2CCCCC2)c2c1CCCC2.
What is the InChIKey of N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide?
The InChIKey is ZHZCENLNKUIARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-18-9-5-6-12-20(18)25(28)27-23-15-16-24(22-14-8-7-13-21(22)23)31(29,30)26-17-19-10-3-2-4-11-19/h5-6,9,12,15-16,19,26H,2-4,7-8,10-11,13-14,17H2,1H3,(H,27,28).
What are the key properties of N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide?
N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide has a molecular weight of 440.61 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide is sourced from PubChem (CID 59656336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).