(2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide

C19H25N3O3S — CID 32727461

IUPAC(2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(17-9-11-18(12-10-17)26(20,24)25)21-19(23)15(2)22(3)13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,21,23)(H2,20,24,25)/t14-,15+/m0/s1
InChIKeyNCRSODFNIOAJMC-LSDHHAIUSA-N
MW375.49 g/mol
LogP2.03
Rot. Bonds7

About (2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide

(2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 32727461) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is (2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID32727461
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name(2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(17-9-11-18(12-10-17)26(20,24)25)21-19(23)15(2)22(3)13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,21,23)(H2,20,24,25)/t14-,15+/m0/s1
InChIKeyNCRSODFNIOAJMC-LSDHHAIUSA-N
XLogP2.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[benzyl(methyl)amino]phenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 60543342
(2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8517596
(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid
CID 119369701
2-(N-benzyl-4-methylanilino)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 30781190
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41023431
(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide
CID 94150043
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 46801717
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
(2R)-2-[benzyl(methyl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356689

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide (CID 32727461) is (2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide is C[C@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is NCRSODFNIOAJMC-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14(17-9-11-18(12-10-17)26(20,24)25)21-19(23)15(2)22(3)13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,21,23)(H2,20,24,25)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide?
(2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 375.49 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 32727461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).