4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride

C19H26ClN3O3S — CID 120558919

IUPAC4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CCC(C)N)ccc2C)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-13-5-4-6-17(11-13)22-26(24,25)18-12-16(9-7-14(18)2)21-19(23)10-8-15(3)20;/h4-7,9,11-12,15,22H,8,10,20H2,1-3H3,(H,21,23);1H
InChIKeyRUONNBKBJIZXNJ-UHFFFAOYSA-N
MW411.96 g/mol
LogP3.59
Rot. Bonds7

About 4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride

4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride (PubChem CID 120558919) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is 4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
PubChem CID120558919
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC Name4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CCC(C)N)ccc2C)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-13-5-4-6-17(11-13)22-26(24,25)18-12-16(9-7-14(18)2)21-19(23)10-8-15(3)20;/h4-7,9,11-12,15,22H,8,10,20H2,1-3H3,(H,21,23);1H
InChIKeyRUONNBKBJIZXNJ-UHFFFAOYSA-N
XLogP3.59
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide
CID 25342400
(2S)-2-amino-4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 119679357
2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119679343
(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 119679340
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide
CID 60599848
3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
CID 55789622
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride
CID 120559877
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 39908102
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride (CID 120558919) is 4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride is Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CCC(C)N)ccc2C)c1.Cl.
What is the InChIKey of 4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride?
The InChIKey is RUONNBKBJIZXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-13-5-4-6-17(11-13)22-26(24,25)18-12-16(9-7-14(18)2)21-19(23)10-8-15(3)20;/h4-7,9,11-12,15,22H,8,10,20H2,1-3H3,(H,21,23);1H.
What are the key properties of 4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride?
4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120558919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).