2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide

C16H22Cl2N2O4S — CID 43895790

IUPAC2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)C1CCCCC1O
InChIInChI=1S/C16H22Cl2N2O4S/c1-19(14-5-3-4-6-15(14)21)16(22)10-20(25(2,23)24)13-8-11(17)7-12(18)9-13/h7-9,14-15,21H,3-6,10H2,1-2H3
InChIKeyNDFNKSPCBWQBRM-UHFFFAOYSA-N
MW409.34 g/mol
LogP2.52
Rot. Bonds5

About 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide

2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 43895790) has the molecular formula C16H22Cl2N2O4S and a molecular weight of 409.34 g/mol. Its IUPAC name is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
PubChem CID43895790
Molecular FormulaC16H22Cl2N2O4S
Molecular Weight409.34 g/mol
Exact Mass408.07
IUPAC Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)C1CCCCC1O
InChIInChI=1S/C16H22Cl2N2O4S/c1-19(14-5-3-4-6-15(14)21)16(22)10-20(25(2,23)24)13-8-11(17)7-12(18)9-13/h7-9,14-15,21H,3-6,10H2,1-2H3
InChIKeyNDFNKSPCBWQBRM-UHFFFAOYSA-N
XLogP2.52
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43895971
N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 43901158
N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide
CID 20524752
N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 28633074
N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
CID 6964836
2-(1-aminocyclobutyl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102632099
N-(4-cyclopentyloxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30221490
N-(2-hydroxycyclohexyl)-2-methoxy-N-methylacetamide
CID 102634610
2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 92672264
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897141
N-cyclopentyl-2-[[2-(3,5-dichloro-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132627673
2-[benzyl-[2-(3,5-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133175701

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide (CID 43895790) is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide is CN(C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)C1CCCCC1O.
What is the InChIKey of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is NDFNKSPCBWQBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O4S/c1-19(14-5-3-4-6-15(14)21)16(22)10-20(25(2,23)24)13-8-11(17)7-12(18)9-13/h7-9,14-15,21H,3-6,10H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 409.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 43895790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).