N-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C19H22N2O4S — CID 1164173

IUPACN-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-2-25-17-7-5-6-16(14-17)20-19(22)15-8-10-18(11-9-15)26(23,24)21-12-3-4-13-21/h5-11,14H,2-4,12-13H2,1H3,(H,20,22)
InChIKeyHCUQSUHFOXPUOJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.12
Rot. Bonds6

About N-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1164173) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1164173
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-2-25-17-7-5-6-16(14-17)20-19(22)15-8-10-18(11-9-15)26(23,24)21-12-3-4-13-21/h5-11,14H,2-4,12-13H2,1H3,(H,20,22)
InChIKeyHCUQSUHFOXPUOJ-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2083341
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CID 1262699
N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 2987883
N-(3-methoxyphenyl)-1-(methylsulfonyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 1085739
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CID 1317129
N-(3,5-dimethoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2116569
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CID 2802630
4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 3314293
N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3900901
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CID 4156245
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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 1164173) is N-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is HCUQSUHFOXPUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-2-25-17-7-5-6-16(14-17)20-19(22)15-8-10-18(11-9-15)26(23,24)21-12-3-4-13-21/h5-11,14H,2-4,12-13H2,1H3,(H,20,22).
What are the key properties of N-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 374.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1164173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).