3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide

C19H29N3O4S — CID 1292590

IUPAC3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H29N3O4S/c23-19(20-8-11-21-12-14-26-15-13-21)17-6-5-7-18(16-17)27(24,25)22-9-3-1-2-4-10-22/h5-7,16H,1-4,8-15H2,(H,20,23)
InChIKeyRGJCUWKSKJYBOS-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.31
Rot. Bonds6

About 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide

3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 1292590) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID1292590
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H29N3O4S/c23-19(20-8-11-21-12-14-26-15-13-21)17-6-5-7-18(16-17)27(24,25)22-9-3-1-2-4-10-22/h5-7,16H,1-4,8-15H2,(H,20,23)
InChIKeyRGJCUWKSKJYBOS-UHFFFAOYSA-N
XLogP1.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CID 2144
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
CID 444849
N-(4-methylcyclohexyl)-3-(4-methylpiperazino)sulfonyl-benzamide
CID 24983123
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
Aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
CID 2150
4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)
CID 25060316
2,5-dimethyl-N-[4-(4-morpholinylcarbonyl)benzyl]benzenesulfonamide
CID 984387
N-cyclopropyl-3-(morpholin-4-ylsulfonyl)benzamide
CID 2326520
[4-(2-Methyl-piperidine-1-sulfonyl)-phenyl]-morpholin-4-yl-methanone
CID 2889869
1-[3-(2,6-Dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide
CID 4100781

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide (CID 1292590) is 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is RGJCUWKSKJYBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c23-19(20-8-11-21-12-14-26-15-13-21)17-6-5-7-18(16-17)27(24,25)22-9-3-1-2-4-10-22/h5-7,16H,1-4,8-15H2,(H,20,23).
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide?
3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 395.53 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 1292590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).