3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide

C20H23N3O4S — CID 4851259

IUPAC3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C20H23N3O4S/c21-19(24)15-8-10-17(11-9-15)22-20(25)16-6-5-7-18(14-16)28(26,27)23-12-3-1-2-4-13-23/h5-11,14H,1-4,12-13H2,(H2,21,24)(H,22,25)
InChIKeyUFBUKKSZWPZARC-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.60
Rot. Bonds5

About 3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide

3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide (PubChem CID 4851259) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
PubChem CID4851259
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C20H23N3O4S/c21-19(24)15-8-10-17(11-9-15)22-20(25)16-6-5-7-18(14-16)28(26,27)23-12-3-1-2-4-13-23/h5-11,14H,1-4,12-13H2,(H2,21,24)(H,22,25)
InChIKeyUFBUKKSZWPZARC-UHFFFAOYSA-N
XLogP2.60
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
3-(azepan-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 4793590
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
propan-2-yl 4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 7733570
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872671
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 100619897
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46474292

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide (CID 4851259) is 3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide is NC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide?
The InChIKey is UFBUKKSZWPZARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c21-19(24)15-8-10-17(11-9-15)22-20(25)16-6-5-7-18(14-16)28(26,27)23-12-3-1-2-4-13-23/h5-11,14H,1-4,12-13H2,(H2,21,24)(H,22,25).
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide?
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide is sourced from PubChem (CID 4851259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).