N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide

C14H21N3O3S — CID 126839368

IUPACN-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide
SMILESNS(=O)(=O)CCCC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C14H21N3O3S/c15-21(19,20)10-4-7-14(18)16-12-5-3-6-13(11-12)17-8-1-2-9-17/h3,5-6,11H,1-2,4,7-10H2,(H,16,18)(H2,15,19,20)
InChIKeyBJQOYJWXONKNCN-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.29
Rot. Bonds6

About N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide

N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide (PubChem CID 126839368) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide
PubChem CID126839368
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide
SMILESNS(=O)(=O)CCCC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C14H21N3O3S/c15-21(19,20)10-4-7-14(18)16-12-5-3-6-13(11-12)17-8-1-2-9-17/h3,5-6,11H,1-2,4,7-10H2,(H,16,18)(H2,15,19,20)
InChIKeyBJQOYJWXONKNCN-UHFFFAOYSA-N
XLogP1.29
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 60928577
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
CID 61062260
3-(2-hydroxyphenyl)-N-(3-piperidin-1-ylphenyl)propanamide
CID 47070895
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
CID 110362135
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide?
The IUPAC name of N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide (CID 126839368) is N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide is NS(=O)(=O)CCCC(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide?
The InChIKey is BJQOYJWXONKNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c15-21(19,20)10-4-7-14(18)16-12-5-3-6-13(11-12)17-8-1-2-9-17/h3,5-6,11H,1-2,4,7-10H2,(H,16,18)(H2,15,19,20).
What are the key properties of N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide?
N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide has a molecular weight of 311.41 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide is sourced from PubChem (CID 126839368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).