N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide

C25H25N3O5S — CID 17482508

IUPACN-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C25H25N3O5S/c1-33-20-10-7-9-19(17-20)26-25(30)22-12-2-3-13-23(22)27-24(29)18-8-6-11-21(16-18)34(31,32)28-14-4-5-15-28/h2-3,6-13,16-17H,4-5,14-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyMJEFXXZZYLHNIU-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.98
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide

N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide (PubChem CID 17482508) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
PubChem CID17482508
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC NameN-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C25H25N3O5S/c1-33-20-10-7-9-19(17-20)26-25(30)22-12-2-3-13-23(22)27-24(29)18-8-6-11-21(16-18)34(31,32)28-14-4-5-15-28/h2-3,6-13,16-17H,4-5,14-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyMJEFXXZZYLHNIU-UHFFFAOYSA-N
XLogP3.98
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide
CID 19257253
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55754658
2-methoxy-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759835
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310
N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 60597425
3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514
N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 3266532
N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385815
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide (CID 17482508) is N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide is COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide?
The InChIKey is MJEFXXZZYLHNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-33-20-10-7-9-19(17-20)26-25(30)22-12-2-3-13-23(22)27-24(29)18-8-6-11-21(16-18)34(31,32)28-14-4-5-15-28/h2-3,6-13,16-17H,4-5,14-15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide?
N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide has a molecular weight of 479.56 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide is sourced from PubChem (CID 17482508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).