N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide

C14H21N3O3S — CID 119821892

IUPACN-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCCNS(=O)(=O)c1ccc(CNC(=O)C2CCNC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-2-17-21(19,20)13-5-3-11(4-6-13)9-16-14(18)12-7-8-15-10-12/h3-6,12,15,17H,2,7-10H2,1H3,(H,16,18)
InChIKeyDDPAHYYULBWYDM-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.21
Rot. Bonds6

About N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide

N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 119821892) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID119821892
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCCNS(=O)(=O)c1ccc(CNC(=O)C2CCNC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-2-17-21(19,20)13-5-3-11(4-6-13)9-16-14(18)12-7-8-15-10-12/h3-6,12,15,17H,2,7-10H2,1H3,(H,16,18)
InChIKeyDDPAHYYULBWYDM-UHFFFAOYSA-N
XLogP0.21
TPSA87.30 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 ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119735471
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119296317
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
N-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006821
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
(3R,4S)-N-[[4-(ethylsulfamoyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120937469
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 63005233
N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119806005
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55150240
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
CID 119752401

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 119821892) is N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide is CCNS(=O)(=O)c1ccc(CNC(=O)C2CCNC2)cc1.
What is the InChIKey of N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is DDPAHYYULBWYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-17-21(19,20)13-5-3-11(4-6-13)9-16-14(18)12-7-8-15-10-12/h3-6,12,15,17H,2,7-10H2,1H3,(H,16,18).
What are the key properties of N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide?
N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119821892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).