2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

C18H29N3O3S — CID 4790618

IUPAC2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CNC2CCCCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H29N3O3S/c1-14-10-11-16(12-17(14)25(23,24)21(2)3)20-18(22)13-19-15-8-6-4-5-7-9-15/h10-12,15,19H,4-9,13H2,1-3H3,(H,20,22)
InChIKeyLDVMVNBZYHMDKF-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.50
Rot. Bonds6

About 2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 4790618) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID4790618
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CNC2CCCCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H29N3O3S/c1-14-10-11-16(12-17(14)25(23,24)21(2)3)20-18(22)13-19-15-8-6-4-5-7-9-15/h10-12,15,19H,4-9,13H2,1-3H3,(H,20,22)
InChIKeyLDVMVNBZYHMDKF-UHFFFAOYSA-N
XLogP2.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 56542928
2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 37231421
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
N-(3-acetamido-4-methylphenyl)-2-(cyclopentylamino)acetamide
CID 60851393
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362
2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride
CID 119907721
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55850115
2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 100901454
2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 96535035
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 16516639
N-(cyclopropylcarbamoyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 18096574
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (CID 4790618) is 2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CNC2CCCCCC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is LDVMVNBZYHMDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-14-10-11-16(12-17(14)25(23,24)21(2)3)20-18(22)13-19-15-8-6-4-5-7-9-15/h10-12,15,19H,4-9,13H2,1-3H3,(H,20,22).
What are the key properties of 2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 367.52 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 4790618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).