(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide

C17H27N3O4S — CID 52872489

IUPAC(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@@H]1CCCO1
InChIInChI=1S/C17H27N3O4S/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/h5,7,9,11,13,15H,6,8,10,12H2,1-4H3,(H,18,21)/t13-,15-/m0/s1
InChIKeyQCUOVCIRUIXJKC-ZFWWWQNUSA-N
MW369.49 g/mol
LogP1.37
Rot. Bonds7

About (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide

(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide (PubChem CID 52872489) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide
PubChem CID52872489
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@@H]1CCCO1
InChIInChI=1S/C17H27N3O4S/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/h5,7,9,11,13,15H,6,8,10,12H2,1-4H3,(H,18,21)/t13-,15-/m0/s1
InChIKeyQCUOVCIRUIXJKC-ZFWWWQNUSA-N
XLogP1.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]propanamide
CID 129419023
(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 8961578
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8517017
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517487
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434153
N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 48849651
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517945
N-[3-[[(3-chlorophenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-4-(dimethylamino)phenyl]-2-methylpropanamide
CID 93128846
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 55605086
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
1-ethyl-1-[[(2S)-oxan-2-yl]methyl]-3-(3-sulfamoylphenyl)urea
CID 97271790

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide?
The IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide (CID 52872489) is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide?
The canonical SMILES for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide is C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide?
The InChIKey is QCUOVCIRUIXJKC-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H27N3O4S/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/h5,7,9,11,13,15H,6,8,10,12H2,1-4H3,(H,18,21)/t13-,15-/m0/s1.
What are the key properties of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide?
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide has a molecular weight of 369.49 g/mol, XLogP of 1.37, 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-[[(2S)-oxolan-2-yl]methyl]amino]propanamide is sourced from PubChem (CID 52872489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).