7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide

C16H27N3O3S — CID 119704157

IUPAC7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCCCCCN)cc1
InChIInChI=1S/C16H27N3O3S/c1-14-7-9-15(10-8-14)23(21,22)19-13-12-18-16(20)6-4-2-3-5-11-17/h7-10,19H,2-6,11-13,17H2,1H3,(H,18,20)
InChIKeyGKFMCWZWDWGHBY-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.30
Rot. Bonds11

About 7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide

7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide (PubChem CID 119704157) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
PubChem CID119704157
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCCCCCN)cc1
InChIInChI=1S/C16H27N3O3S/c1-14-7-9-15(10-8-14)23(21,22)19-13-12-18-16(20)6-4-2-3-5-11-17/h7-10,19H,2-6,11-13,17H2,1H3,(H,18,20)
InChIKeyGKFMCWZWDWGHBY-UHFFFAOYSA-N
XLogP1.30
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide 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-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide
CID 108572895
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119305436
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
7-amino-N-[4-(propylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119720435
4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 33338058
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide (CID 119704157) is 7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CCCCCCN)cc1.
What is the InChIKey of 7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide?
The InChIKey is GKFMCWZWDWGHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-14-7-9-15(10-8-14)23(21,22)19-13-12-18-16(20)6-4-2-3-5-11-17/h7-10,19H,2-6,11-13,17H2,1H3,(H,18,20).
What are the key properties of 7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide?
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide has a molecular weight of 341.48 g/mol, XLogP of 1.30, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide is sourced from PubChem (CID 119704157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).