N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide

C17H26N2O3S — CID 700395

IUPACN-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)c1C
InChIInChI=1S/C17H26N2O3S/c1-13-8-7-11-16(14(13)2)19(23(3,21)22)12-17(20)18-15-9-5-4-6-10-15/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H,18,20)
InChIKeyPDUABLANFYGETN-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.52
Rot. Bonds5

About N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide

N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 700395) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID700395
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)c1C
InChIInChI=1S/C17H26N2O3S/c1-13-8-7-11-16(14(13)2)19(23(3,21)22)12-17(20)18-15-9-5-4-6-10-15/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H,18,20)
InChIKeyPDUABLANFYGETN-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1322609
2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
CID 113168893
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 124775916
N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156955
N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 846470
N-cycloheptyl-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249582
2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 113157125
(2R)-2-[(4-bromophenyl)methyl-[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 125072110
(2R)-2-[(3-chlorophenyl)methyl-[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclopentylpropanamide
CID 125100273
N-cyclohexyl-2-[[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133176052
2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide
CID 1000068

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide (CID 700395) is N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)c1C.
What is the InChIKey of N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is PDUABLANFYGETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-8-7-11-16(14(13)2)19(23(3,21)22)12-17(20)18-15-9-5-4-6-10-15/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 338.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 700395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).