N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide

C18H21N3O4S — CID 1252535

IUPACN-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide
SMILESCOc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C18H21N3O4S/c1-25-17-11-5-4-10-16(17)19-18(22)14-8-2-3-9-15(14)20-26(23,24)21-12-6-7-13-21/h2-5,8-11,20H,6-7,12-13H2,1H3,(H,19,22)
InChIKeyPRUBSSMKEQOCSE-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.70
Rot. Bonds6

About N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide

N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide (PubChem CID 1252535) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide
PubChem CID1252535
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide
SMILESCOc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C18H21N3O4S/c1-25-17-11-5-4-10-16(17)19-18(22)14-8-2-3-9-15(14)20-26(23,24)21-12-6-7-13-21/h2-5,8-11,20H,6-7,12-13H2,1H3,(H,19,22)
InChIKeyPRUBSSMKEQOCSE-UHFFFAOYSA-N
XLogP2.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide (CID 1252535) is N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide is COc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide?
The InChIKey is PRUBSSMKEQOCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-25-17-11-5-4-10-16(17)19-18(22)14-8-2-3-9-15(14)20-26(23,24)21-12-6-7-13-21/h2-5,8-11,20H,6-7,12-13H2,1H3,(H,19,22).
What are the key properties of N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide?
N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide has a molecular weight of 375.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylsulfonylamino)benzamide is sourced from PubChem (CID 1252535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).