2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide

C11H17N3O3S — CID 62638953

IUPAC2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide
SMILESCNC(C)C(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H17N3O3S/c1-8(13-2)11(15)14-7-9-4-3-5-10(6-9)18(12,16)17/h3-6,8,13H,7H2,1-2H3,(H,14,15)(H2,12,16,17)
InChIKeyXKWPHIBAWOINAP-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.44
Rot. Bonds5

About 2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide

2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide (PubChem CID 62638953) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide
PubChem CID62638953
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide
SMILESCNC(C)C(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H17N3O3S/c1-8(13-2)11(15)14-7-9-4-3-5-10(6-9)18(12,16)17/h3-6,8,13H,7H2,1-2H3,(H,14,15)(H2,12,16,17)
InChIKeyXKWPHIBAWOINAP-UHFFFAOYSA-N
XLogP-0.44
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 55938698
2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 79506370
5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide
CID 104684174
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044
(2S)-2-amino-4-methylsulfanyl-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 61180691
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 55938697
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
2-[2-oxo-2-[(3-sulfamoylphenyl)methylamino]ethyl]sulfanylacetic acid
CID 104569122
3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 63680751
1-[(2R)-2-benzyl-3-methylbutyl]-3-[(3-sulfamoylphenyl)methyl]urea
CID 124732637

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide (CID 62638953) is 2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide is CNC(C)C(=O)NCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide?
The InChIKey is XKWPHIBAWOINAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8(13-2)11(15)14-7-9-4-3-5-10(6-9)18(12,16)17/h3-6,8,13H,7H2,1-2H3,(H,14,15)(H2,12,16,17).
What are the key properties of 2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide?
2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide has a molecular weight of 271.34 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 62638953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).