N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide

C24H31N3O4S — CID 126320858

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C24H31N3O4S/c28-24(21-7-5-20(6-8-21)19-26-15-17-31-18-16-26)25-22-9-11-23(12-10-22)32(29,30)27-13-3-1-2-4-14-27/h5-12H,1-4,13-19H2,(H,25,28)
InChIKeyGWTBWFCIPCMZCD-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.34
Rot. Bonds6

About N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 126320858) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID126320858
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C24H31N3O4S/c28-24(21-7-5-20(6-8-21)19-26-15-17-31-18-16-26)25-22-9-11-23(12-10-22)32(29,30)27-13-3-1-2-4-14-27/h5-12H,1-4,13-19H2,(H,25,28)
InChIKeyGWTBWFCIPCMZCD-UHFFFAOYSA-N
XLogP3.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925178
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
4-(difluoromethylsulfonyl)-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78829467
N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385825
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide (CID 126320858) is N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is GWTBWFCIPCMZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c28-24(21-7-5-20(6-8-21)19-26-15-17-31-18-16-26)25-22-9-11-23(12-10-22)32(29,30)27-13-3-1-2-4-14-27/h5-12H,1-4,13-19H2,(H,25,28).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 457.60 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 126320858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).