4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide

C25H27N3O5S — CID 55661532

IUPAC4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-32-20-10-12-21(13-11-20)33-25-23(7-6-16-26-25)27-24(29)19-8-14-22(15-9-19)34(30,31)28-17-4-2-3-5-18-28/h6-16H,2-5,17-18H2,1H3,(H,27,29)
InChIKeyMEOHXFTUQDSUCP-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.70
Rot. Bonds7

About 4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide

4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide (PubChem CID 55661532) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
PubChem CID55661532
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-32-20-10-12-21(13-11-20)33-25-23(7-6-16-26-25)27-24(29)19-8-14-22(15-9-19)34(30,31)28-17-4-2-3-5-18-28/h6-16H,2-5,17-18H2,1H3,(H,27,29)
InChIKeyMEOHXFTUQDSUCP-UHFFFAOYSA-N
XLogP4.70
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55763825
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55661313
4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068510
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 2728304
4-(azepan-1-ylsulfonyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 7772876
N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55678773
N-(2-ethoxy-3-pyridinyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 34877593
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55663053
2-chloro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylsulfonylbenzamide
CID 55763392
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide (CID 55661532) is 4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide is COc1ccc(Oc2ncccc2NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide?
The InChIKey is MEOHXFTUQDSUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-32-20-10-12-21(13-11-20)33-25-23(7-6-16-26-25)27-24(29)19-8-14-22(15-9-19)34(30,31)28-17-4-2-3-5-18-28/h6-16H,2-5,17-18H2,1H3,(H,27,29).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide?
4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide has a molecular weight of 481.57 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide is sourced from PubChem (CID 55661532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).