3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide

C14H21N3O3S — CID 60926612

IUPAC3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-17(2)14(18)9-10-15-11-5-7-13(8-6-11)21(19,20)16-12-3-4-12/h5-8,12,15-16H,3-4,9-10H2,1-2H3
InChIKeyPHBXJDRUNQOQSN-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.02
Rot. Bonds7

About 3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide

3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide (PubChem CID 60926612) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide
PubChem CID60926612
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-17(2)14(18)9-10-15-11-5-7-13(8-6-11)21(19,20)16-12-3-4-12/h5-8,12,15-16H,3-4,9-10H2,1-2H3
InChIKeyPHBXJDRUNQOQSN-UHFFFAOYSA-N
XLogP1.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052
N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide
CID 64910863
N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62664839
N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide
CID 116644409
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
3-(4-acetamidoanilino)-N,N-dimethylpropanamide
CID 54879243
3-(4-acetylanilino)-N,N-dimethylpropanamide
CID 114468155
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83186685
N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 56504390
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide (CID 60926612) is 3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide?
The InChIKey is PHBXJDRUNQOQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-17(2)14(18)9-10-15-11-5-7-13(8-6-11)21(19,20)16-12-3-4-12/h5-8,12,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide?
3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide is sourced from PubChem (CID 60926612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).