(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide

C15H25N3O3S — CID 119735475

IUPAC(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H25N3O3S/c1-11(2)9-14(16)15(19)17-10-12-5-7-13(8-6-12)22(20,21)18(3)4/h5-8,11,14H,9-10,16H2,1-4H3,(H,17,19)/t14-/m0/s1
InChIKeyOJAOUBQTDNXJPC-AWEZNQCLSA-N
MW327.45 g/mol
LogP0.93
Rot. Bonds7

About (2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide

(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide (PubChem CID 119735475) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide
PubChem CID119735475
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H25N3O3S/c1-11(2)9-14(16)15(19)17-10-12-5-7-13(8-6-12)22(20,21)18(3)4/h5-8,11,14H,9-10,16H2,1-4H3,(H,17,19)/t14-/m0/s1
InChIKeyOJAOUBQTDNXJPC-AWEZNQCLSA-N
XLogP0.93
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119691062
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-4-methylpentanamide
CID 61177955
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
CID 104903275
(2S)-2-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119736094
(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119690168
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877
2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 55812284
(2S)-2-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methylpentanamide
CID 119723292

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide (CID 119735475) is (2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide?
The InChIKey is OJAOUBQTDNXJPC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-11(2)9-14(16)15(19)17-10-12-5-7-13(8-6-12)22(20,21)18(3)4/h5-8,11,14H,9-10,16H2,1-4H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide?
(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide has a molecular weight of 327.45 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide is sourced from PubChem (CID 119735475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).