4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C22H28N2O7S — CID 41261543

IUPAC4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H28N2O7S/c1-28-17-8-7-16(13-20(17)32(26,27)24-9-5-6-10-24)22(25)23-14-15-11-18(29-2)21(31-4)19(12-15)30-3/h7-8,11-13H,5-6,9-10,14H2,1-4H3,(H,23,25)
InChIKeyNYMAHVJXAVBPQO-UHFFFAOYSA-N
MW464.54 g/mol
LogP2.44
Rot. Bonds9

About 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 41261543) has the molecular formula C22H28N2O7S and a molecular weight of 464.54 g/mol. Its IUPAC name is 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID41261543
Molecular FormulaC22H28N2O7S
Molecular Weight464.54 g/mol
Exact Mass464.16
IUPAC Name4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H28N2O7S/c1-28-17-8-7-16(13-20(17)32(26,27)24-9-5-6-10-24)22(25)23-14-15-11-18(29-2)21(31-4)19(12-15)30-3/h7-8,11-13H,5-6,9-10,14H2,1-4H3,(H,23,25)
InChIKeyNYMAHVJXAVBPQO-UHFFFAOYSA-N
XLogP2.44
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17492372
3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26241498
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892154
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
3-(azepan-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 18145727
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46486188
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26796023
4-methoxy-3-piperidin-1-ylsulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 100795466
4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 120831442

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 41261543) is 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is NYMAHVJXAVBPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O7S/c1-28-17-8-7-16(13-20(17)32(26,27)24-9-5-6-10-24)22(25)23-14-15-11-18(29-2)21(31-4)19(12-15)30-3/h7-8,11-13H,5-6,9-10,14H2,1-4H3,(H,23,25).
What are the key properties of 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 464.54 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 41261543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).