N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide

C14H21N3O3S — CID 79203861

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H21N3O3S/c1-10(9-15-2)14(18)16-12-4-3-5-13(8-12)21(19,20)17-11-6-7-11/h3-5,8,10-11,15,17H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyWXCWDVFZBWWOIX-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.92
Rot. Bonds7

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

N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 79203861) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
PubChem CID79203861
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H21N3O3S/c1-10(9-15-2)14(18)16-12-4-3-5-13(8-12)21(19,20)17-11-6-7-11/h3-5,8,10-11,15,17H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyWXCWDVFZBWWOIX-UHFFFAOYSA-N
XLogP0.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718564
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56581574
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 79201789
3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide
CID 81486538
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037721
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 107907884
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-2-phenylpropanamide
CID 46532975

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide (CID 79203861) is N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is WXCWDVFZBWWOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(9-15-2)14(18)16-12-4-3-5-13(8-12)21(19,20)17-11-6-7-11/h3-5,8,10-11,15,17H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 311.41 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79203861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).