N-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C19H22N2O4S — CID 2570007

IUPACN-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-25-17-6-4-5-15(13-17)14-20-19(22)16-7-9-18(10-8-16)26(23,24)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyXSSGRLPYLRSUBJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.41
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2570007) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2570007
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-25-17-6-4-5-15(13-17)14-20-19(22)16-7-9-18(10-8-16)26(23,24)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyXSSGRLPYLRSUBJ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2570007) is N-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is XSSGRLPYLRSUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-25-17-6-4-5-15(13-17)14-20-19(22)16-7-9-18(10-8-16)26(23,24)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 374.46 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2570007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).