3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide

C19H22N2O4S — CID 108759230

IUPAC3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-25-17-6-4-5-16(13-17)19(22)20-14-15-7-9-18(10-8-15)26(23,24)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyWQIKRPBHDAFPDX-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.41
Rot. Bonds6

About 3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide

3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide (PubChem CID 108759230) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
PubChem CID108759230
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-25-17-6-4-5-16(13-17)19(22)20-14-15-7-9-18(10-8-15)26(23,24)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyWQIKRPBHDAFPDX-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

Analyze 3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973692
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910
3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736275
N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3-methoxybenzamide
CID 17226245
3-methoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 17226232
3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125401
3-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]benzamide
CID 53285754
methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methylcarbamoyl]benzoate
CID 108736156
N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 46385970
N-[(3-methoxyphenyl)methyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837187
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide (CID 108759230) is 3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide is COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The InChIKey is WQIKRPBHDAFPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-25-17-6-4-5-16(13-17)19(22)20-14-15-7-9-18(10-8-15)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 3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide 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 3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 108759230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).