(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

C14H23N3O3S — CID 119307075

IUPAC(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](C)N
InChIInChI=1S/C14H23N3O3S/c1-10(2)17-21(19,20)9-13-7-5-4-6-12(13)8-16-14(18)11(3)15/h4-7,10-11,17H,8-9,15H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyNAJWFARKMWAIHC-NSHDSACASA-N
MW313.42 g/mol
LogP0.48
Rot. Bonds7

About (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide (PubChem CID 119307075) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
PubChem CID119307075
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](C)N
InChIInChI=1S/C14H23N3O3S/c1-10(2)17-21(19,20)9-13-7-5-4-6-12(13)8-16-14(18)11(3)15/h4-7,10-11,17H,8-9,15H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyNAJWFARKMWAIHC-NSHDSACASA-N
XLogP0.48
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
3-(2-aminophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609935
1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 17405433
2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121288
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 18121313
2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121295
1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 24616463

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide (CID 119307075) is (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The InChIKey is NAJWFARKMWAIHC-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(2)17-21(19,20)9-13-7-5-4-6-12(13)8-16-14(18)11(3)15/h4-7,10-11,17H,8-9,15H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide has a molecular weight of 313.42 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 119307075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).