2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride

C17H30ClN3O3S — CID 119748877

IUPAC2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1.Cl
InChIInChI=1S/C17H29N3O3S.ClH/c1-6-13(4)16(18)17(21)19-11-14-7-9-15(10-8-14)24(22,23)20(5)12(2)3;/h7-10,12-13,16H,6,11,18H2,1-5H3,(H,19,21);1H
InChIKeySLKVPNAGTKZULF-UHFFFAOYSA-N
MW391.97 g/mol
LogP2.13
Rot. Bonds8

About 2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride

2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride (PubChem CID 119748877) has the molecular formula C17H30ClN3O3S and a molecular weight of 391.97 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
PubChem CID119748877
Molecular FormulaC17H30ClN3O3S
Molecular Weight391.97 g/mol
Exact Mass391.17
IUPAC Name2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1.Cl
InChIInChI=1S/C17H29N3O3S.ClH/c1-6-13(4)16(18)17(21)19-11-14-7-9-15(10-8-14)24(22,23)20(5)12(2)3;/h7-10,12-13,16H,6,11,18H2,1-5H3,(H,19,21);1H
InChIKeySLKVPNAGTKZULF-UHFFFAOYSA-N
XLogP2.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
2-amino-3-methyl-N-[(4-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119708450
2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119747912
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide
CID 47732115
2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
CID 119714373
(2S)-2-amino-3-methyl-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119263313
4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119713159
(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide
CID 119735475
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507
(2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119691062
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide
CID 120983914
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride (CID 119748877) is 2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride?
The InChIKey is SLKVPNAGTKZULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S.ClH/c1-6-13(4)16(18)17(21)19-11-14-7-9-15(10-8-14)24(22,23)20(5)12(2)3;/h7-10,12-13,16H,6,11,18H2,1-5H3,(H,19,21);1H.
What are the key properties of 2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride has a molecular weight of 391.97 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119748877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).