3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride

C20H28ClN3O3S — CID 119950083

IUPAC3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C20H27N3O3S.ClH/c1-14(2)23(4)27(25,26)17-11-10-15(3)19(12-17)22-20(24)13-18(21)16-8-6-5-7-9-16;/h5-12,14,18H,13,21H2,1-4H3,(H,22,24);1H
InChIKeyUZRDKSUXPXANKD-UHFFFAOYSA-N
MW425.98 g/mol
LogP3.47
Rot. Bonds7

About 3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119950083) has the molecular formula C20H28ClN3O3S and a molecular weight of 425.98 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride
PubChem CID119950083
Molecular FormulaC20H28ClN3O3S
Molecular Weight425.98 g/mol
Exact Mass425.15
IUPAC Name3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C20H27N3O3S.ClH/c1-14(2)23(4)27(25,26)17-11-10-15(3)19(12-17)22-20(24)13-18(21)16-8-6-5-7-9-16;/h5-12,14,18H,13,21H2,1-4H3,(H,22,24);1H
InChIKeyUZRDKSUXPXANKD-UHFFFAOYSA-N
XLogP3.47
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.98
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 119949036
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride
CID 119954106
N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide
CID 27990757
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
CID 119949941
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide
CID 119949945
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132046
N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide
CID 4969682
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
3-[(3-amino-3-phenylpropanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119949954
(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 92647918

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride (CID 119950083) is 3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride is Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is UZRDKSUXPXANKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S.ClH/c1-14(2)23(4)27(25,26)17-11-10-15(3)19(12-17)22-20(24)13-18(21)16-8-6-5-7-9-16;/h5-12,14,18H,13,21H2,1-4H3,(H,22,24);1H.
What are the key properties of 3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 425.98 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).