N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C22H33N3O4S — CID 55968305

IUPACN-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCNC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)CCCCC1
InChIInChI=1S/C22H33N3O4S/c1-3-23-21(27)22(13-6-4-7-14-22)24-20(26)18-11-9-12-19(16-18)30(28,29)25-15-8-5-10-17(25)2/h9,11-12,16-17H,3-8,10,13-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyIAEOVUKSMDOCOX-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.82
Rot. Bonds6

About N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55968305) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55968305
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC NameN-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCNC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)CCCCC1
InChIInChI=1S/C22H33N3O4S/c1-3-23-21(27)22(13-6-4-7-14-22)24-20(26)18-11-9-12-19(16-18)30(28,29)25-15-8-5-10-17(25)2/h9,11-12,16-17H,3-8,10,13-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyIAEOVUKSMDOCOX-UHFFFAOYSA-N
XLogP2.82
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 11932722
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide
CID 55768153
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 86950492
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55528409
1-[[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]-3-pentylthiourea
CID 11937810
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55968305) is N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is CCNC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)CCCCC1.
What is the InChIKey of N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is IAEOVUKSMDOCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-3-23-21(27)22(13-6-4-7-14-22)24-20(26)18-11-9-12-19(16-18)30(28,29)25-15-8-5-10-17(25)2/h9,11-12,16-17H,3-8,10,13-15H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 435.59 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55968305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).