N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C24H24N2O4S — CID 46385815

IUPACN-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1
InChIInChI=1S/C24H24N2O4S/c1-30-22-6-4-5-21(17-22)25-24(27)20-9-7-18(8-10-20)19-11-13-23(14-12-19)31(28,29)26-15-2-3-16-26/h4-14,17H,2-3,15-16H2,1H3,(H,25,27)
InChIKeyMKZLZPMEEUFZIK-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.40
Rot. Bonds6

About N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 46385815) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID46385815
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1
InChIInChI=1S/C24H24N2O4S/c1-30-22-6-4-5-21(17-22)25-24(27)20-9-7-18(8-10-20)19-11-13-23(14-12-19)31(28,29)26-15-2-3-16-26/h4-14,17H,2-3,15-16H2,1H3,(H,25,27)
InChIKeyMKZLZPMEEUFZIK-UHFFFAOYSA-N
XLogP4.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 7772876
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973692
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46764677
N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867144
4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385896
N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 17482508

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 46385815) is N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is COc1cccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is MKZLZPMEEUFZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-30-22-6-4-5-21(17-22)25-24(27)20-9-7-18(8-10-20)19-11-13-23(14-12-19)31(28,29)26-15-2-3-16-26/h4-14,17H,2-3,15-16H2,1H3,(H,25,27).
What are the key properties of N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 436.53 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 46385815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).