2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide

C20H30ClN3O3S2 — CID 46387623

IUPAC2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide
SMILESCN(CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl)C1CCCCC1
InChIInChI=1S/C20H30ClN3O3S2/c1-23(16-5-3-2-4-6-16)10-9-22-20(25)18-15-17(7-8-19(18)21)29(26,27)24-11-13-28-14-12-24/h7-8,15-16H,2-6,9-14H2,1H3,(H,22,25)
InChIKeyAKLUJQMQBOGEBR-UHFFFAOYSA-N
MW460.07 g/mol
LogP3.07
Rot. Bonds7

About 2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide

2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide (PubChem CID 46387623) has the molecular formula C20H30ClN3O3S2 and a molecular weight of 460.07 g/mol. Its IUPAC name is 2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide
PubChem CID46387623
Molecular FormulaC20H30ClN3O3S2
Molecular Weight460.07 g/mol
Exact Mass459.14
IUPAC Name2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide
SMILESCN(CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl)C1CCCCC1
InChIInChI=1S/C20H30ClN3O3S2/c1-23(16-5-3-2-4-6-16)10-9-22-20(25)18-15-17(7-8-19(18)21)29(26,27)24-11-13-28-14-12-24/h7-8,15-16H,2-6,9-14H2,1H3,(H,22,25)
InChIKeyAKLUJQMQBOGEBR-UHFFFAOYSA-N
XLogP3.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.07
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-pyrrolidin-1-ylethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387613
N-[3-[benzyl(methyl)amino]propyl]-2-chloro-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387607
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55573535
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316220
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide
CID 92882534
2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387400
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387560
2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 32542151
2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide
CID 78795839

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide (CID 46387623) is 2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide is CN(CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl)C1CCCCC1.
What is the InChIKey of 2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide?
The InChIKey is AKLUJQMQBOGEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O3S2/c1-23(16-5-3-2-4-6-16)10-9-22-20(25)18-15-17(7-8-19(18)21)29(26,27)24-11-13-28-14-12-24/h7-8,15-16H,2-6,9-14H2,1H3,(H,22,25).
What are the key properties of 2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide?
2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide has a molecular weight of 460.07 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46387623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).