4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide

C20H28ClN3O5S — CID 55768184

IUPAC4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCNC(=O)C1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCCCC1
InChIInChI=1S/C20H28ClN3O5S/c1-2-22-19(26)20(8-4-3-5-9-20)23-18(25)15-6-7-16(21)17(14-15)30(27,28)24-10-12-29-13-11-24/h6-7,14H,2-5,8-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyFKTXIOWANKXFIP-UHFFFAOYSA-N
MW457.98 g/mol
LogP1.93
Rot. Bonds6

About 4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55768184) has the molecular formula C20H28ClN3O5S and a molecular weight of 457.98 g/mol. Its IUPAC name is 4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55768184
Molecular FormulaC20H28ClN3O5S
Molecular Weight457.98 g/mol
Exact Mass457.14
IUPAC Name4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCNC(=O)C1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCCCC1
InChIInChI=1S/C20H28ClN3O5S/c1-2-22-19(26)20(8-4-3-5-9-20)23-18(25)15-6-7-16(21)17(14-15)30(27,28)24-10-12-29-13-11-24/h6-7,14H,2-5,8-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyFKTXIOWANKXFIP-UHFFFAOYSA-N
XLogP1.93
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(ethylcarbamoyl)cyclohexyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55967795
4-chloro-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7581832
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 9416375
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 7150357
4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 42904495
4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 99969256
N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 52539969

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide (CID 55768184) is 4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide is CCNC(=O)C1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCCCC1.
What is the InChIKey of 4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FKTXIOWANKXFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O5S/c1-2-22-19(26)20(8-4-3-5-9-20)23-18(25)15-6-7-16(21)17(14-15)30(27,28)24-10-12-29-13-11-24/h6-7,14H,2-5,8-13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 457.98 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55768184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).