7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride

C17H28ClN3O3S — CID 119797366

IUPAC7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCCCCCN)cc1S(=O)(=O)NC1CC1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-13-7-8-15(19-17(21)6-4-2-3-5-11-18)12-16(13)24(22,23)20-14-9-10-14;/h7-8,12,14,20H,2-6,9-11,18H2,1H3,(H,19,21);1H
InChIKeyMTVIBRLTLICVIT-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.71
Rot. Bonds10

About 7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride

7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride (PubChem CID 119797366) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is 7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
PubChem CID119797366
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC Name7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCCCCCN)cc1S(=O)(=O)NC1CC1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-13-7-8-15(19-17(21)6-4-2-3-5-11-18)12-16(13)24(22,23)20-14-9-10-14;/h7-8,12,14,20H,2-6,9-11,18H2,1H3,(H,19,21);1H
InChIKeyMTVIBRLTLICVIT-UHFFFAOYSA-N
XLogP2.71
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.71
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-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride
CID 119797372
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]acetamide
CID 119331403
4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide
CID 119331495
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156
7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119674944
2-(cyclopropylmethylamino)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]acetamide
CID 119797391
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119797364
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
CID 119704606
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
4-amino-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]butanamide;hydrochloride
CID 119264847
6-amino-N-(3-bromo-4-methylphenyl)hexanamide
CID 63334946

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride (CID 119797366) is 7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride is Cc1ccc(NC(=O)CCCCCCN)cc1S(=O)(=O)NC1CC1.Cl.
What is the InChIKey of 7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride?
The InChIKey is MTVIBRLTLICVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-13-7-8-15(19-17(21)6-4-2-3-5-11-18)12-16(13)24(22,23)20-14-9-10-14;/h7-8,12,14,20H,2-6,9-11,18H2,1H3,(H,19,21);1H.
What are the key properties of 7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride?
7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.71, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119797366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).