N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride

C15H24ClN3O3S — CID 119797372

IUPACN-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11-5-6-13(17-15(19)4-3-9-16-2)10-14(11)22(20,21)18-12-7-8-12;/h5-6,10,12,16,18H,3-4,7-9H2,1-2H3,(H,17,19);1H
InChIKeyICTZZHONYYQZAU-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.80
Rot. Bonds8

About N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride

N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119797372) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119797372
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11-5-6-13(17-15(19)4-3-9-16-2)10-14(11)22(20,21)18-12-7-8-12;/h5-6,10,12,16,18H,3-4,7-9H2,1-2H3,(H,17,19);1H
InChIKeyICTZZHONYYQZAU-UHFFFAOYSA-N
XLogP1.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.80
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

7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119797366
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]acetamide
CID 119331403
2-(cyclopropylmethylamino)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]acetamide
CID 119797391
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119797364
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide
CID 119331495
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
CID 9107112
3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119797376
N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide
CID 114250285

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride (CID 119797372) is N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1.Cl.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is ICTZZHONYYQZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-11-5-6-13(17-15(19)4-3-9-16-2)10-14(11)22(20,21)18-12-7-8-12;/h5-6,10,12,16,18H,3-4,7-9H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride?
N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119797372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).