(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

C17H23N3O3S2 — CID 8517017

IUPAC(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)Cc1cccs1
InChIInChI=1S/C17H23N3O3S2/c1-13(20(4)12-15-8-6-10-24-15)17(21)18-14-7-5-9-16(11-14)25(22,23)19(2)3/h5-11,13H,12H2,1-4H3,(H,18,21)/t13-/m0/s1
InChIKeyOOTRFDJRAOOWHT-ZDUSSCGKSA-N
MW381.52 g/mol
LogP2.46
Rot. Bonds7

About (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide (PubChem CID 8517017) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
PubChem CID8517017
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)Cc1cccs1
InChIInChI=1S/C17H23N3O3S2/c1-13(20(4)12-15-8-6-10-24-15)17(21)18-14-7-5-9-16(11-14)25(22,23)19(2)3/h5-11,13H,12H2,1-4H3,(H,18,21)/t13-/m0/s1
InChIKeyOOTRFDJRAOOWHT-ZDUSSCGKSA-N
XLogP2.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434153
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517487
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517945
N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31479938
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]propanamide
CID 129419023
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide
CID 52872489
(2R)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8516869
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 31281892
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]propanamide
CID 112798578
[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8652247

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide (CID 8517017) is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide.
What is the SMILES notation for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The canonical SMILES for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide is C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)Cc1cccs1.
What is the InChIKey of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The InChIKey is OOTRFDJRAOOWHT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-13(20(4)12-15-8-6-10-24-15)17(21)18-14-7-5-9-16(11-14)25(22,23)19(2)3/h5-11,13H,12H2,1-4H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide has a molecular weight of 381.52 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 8517017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).