N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C19H21N3O4S — CID 27708025

IUPACN-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C19H21N3O4S/c1-13-4-9-16(11-17(13)27(20,25)26)21-19(24)15-7-5-14(6-8-15)12-22-10-2-3-18(22)23/h4-9,11H,2-3,10,12H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyMURTYWAOKVCYPI-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.02
Rot. Bonds5

About N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 27708025) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID27708025
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C19H21N3O4S/c1-13-4-9-16(11-17(13)27(20,25)26)21-19(24)15-7-5-14(6-8-15)12-22-10-2-3-18(22)23/h4-9,11H,2-3,10,12H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyMURTYWAOKVCYPI-UHFFFAOYSA-N
XLogP2.02
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55379495
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 30394443
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-propan-2-ylphenyl)benzamide
CID 8732907
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 43062423
N-[4-(cyclopropanecarbonylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 41266087
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 30811701
2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120541421
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 99940050
3,4-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 96545359
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 27708025) is N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is MURTYWAOKVCYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13-4-9-16(11-17(13)27(20,25)26)21-19(24)15-7-5-14(6-8-15)12-22-10-2-3-18(22)23/h4-9,11H,2-3,10,12H2,1H3,(H,21,24)(H2,20,25,26).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 27708025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).