N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide

C17H26N2O3S — CID 2530004

IUPACN-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC2CCCCC2)cc1C
InChIInChI=1S/C17H26N2O3S/c1-13-8-9-16(10-14(13)2)23(21,22)19-12-17(20)18-11-15-6-4-3-5-7-15/h8-10,15,19H,3-7,11-12H2,1-2H3,(H,18,20)
InChIKeyNFOPCIXMFXFRLE-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.28
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide

N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide (PubChem CID 2530004) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
PubChem CID2530004
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC2CCCCC2)cc1C
InChIInChI=1S/C17H26N2O3S/c1-13-8-9-16(10-14(13)2)23(21,22)19-12-17(20)18-11-15-6-4-3-5-7-15/h8-10,15,19H,3-7,11-12H2,1-2H3,(H,18,20)
InChIKeyNFOPCIXMFXFRLE-UHFFFAOYSA-N
XLogP2.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)acetamide
CID 11414131
N-((2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl)-2-propylpentanamide
CID 23653514
2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide
CID 11537386
2-Cyclohexylamido-5-sulfonamidoindane
CID 11623958
N-{2-[7-(Methylsulfamoyl)naphthalen-1-Yl]ethyl}acetamide
CID 18175028
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746
2-Propylamido-5-sulfonamidoindane
CID 11536481
2-Ethylamido-5-sulfonamidoindane
CID 11543564
N~1~-cyclopropyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 894343

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide (CID 2530004) is N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCC2CCCCC2)cc1C.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
The InChIKey is NFOPCIXMFXFRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-8-9-16(10-14(13)2)23(21,22)19-12-17(20)18-11-15-6-4-3-5-7-15/h8-10,15,19H,3-7,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide has a molecular weight of 338.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 2530004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).