N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride

C17H28ClN3O3S — CID 119987153

IUPACN-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNC2CCCCCC2)cc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-14(21)20-16-8-10-17(11-9-16)24(22,23)19-13-12-18-15-6-4-2-3-5-7-15;/h8-11,15,18-19H,2-7,12-13H2,1H3,(H,20,21);1H
InChIKeyFQZLZGQWHJKUAN-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.66
Rot. Bonds7

About N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride

N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride (PubChem CID 119987153) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
PubChem CID119987153
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNC2CCCCCC2)cc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-14(21)20-16-8-10-17(11-9-16)24(22,23)19-13-12-18-15-6-4-2-3-5-7-15;/h8-11,15,18-19H,2-7,12-13H2,1H3,(H,20,21);1H
InChIKeyFQZLZGQWHJKUAN-UHFFFAOYSA-N
XLogP2.66
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571113
N-[4-[2-[acetyl(cyclopentyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113052884
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
1-acetyl-N-[2-(cycloheptylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119987148
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride
CID 119987301
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea
CID 155518251
N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 119620168
1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cycloheptylthiourea;hydrochloride
CID 155568890
N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
CID 107849118
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride (CID 119987153) is N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)NCCNC2CCCCCC2)cc1.Cl.
What is the InChIKey of N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride?
The InChIKey is FQZLZGQWHJKUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-14(21)20-16-8-10-17(11-9-16)24(22,23)19-13-12-18-15-6-4-2-3-5-7-15;/h8-11,15,18-19H,2-7,12-13H2,1H3,(H,20,21);1H.
What are the key properties of N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride?
N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119987153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).