3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide

C14H21N3O3S — CID 81486538

IUPAC3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H21N3O3S/c1-14(2,9-15)13(18)16-11-4-3-5-12(8-11)21(19,20)17-10-6-7-10/h3-5,8,10,17H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyCUMOCZQZBFFVDC-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.05
Rot. Bonds6

About 3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide

3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 81486538) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide
PubChem CID81486538
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H21N3O3S/c1-14(2,9-15)13(18)16-11-4-3-5-12(8-11)21(19,20)17-10-6-7-10/h3-5,8,10,17H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyCUMOCZQZBFFVDC-UHFFFAOYSA-N
XLogP1.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-2-phenylpropanamide
CID 46532975
N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24655241
(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79203861
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 43347060
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718564
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119521902
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037721
5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 107907884
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide (CID 81486538) is 3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide is CC(C)(CN)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is CUMOCZQZBFFVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(2,9-15)13(18)16-11-4-3-5-12(8-11)21(19,20)17-10-6-7-10/h3-5,8,10,17H,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide?
3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 81486538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).