N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide

C19H30N2O3S — CID 4791129

IUPACN-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCC2CCCCC2)c1C
InChIInChI=1S/C19H30N2O3S/c1-13-10-14(2)16(4)19(15(13)3)25(23,24)21-12-18(22)20-11-17-8-6-5-7-9-17/h10,17,21H,5-9,11-12H2,1-4H3,(H,20,22)
InChIKeyYEWKRWOYJCNILQ-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.90
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide

N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide (PubChem CID 4791129) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
PubChem CID4791129
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCC2CCCCC2)c1C
InChIInChI=1S/C19H30N2O3S/c1-13-10-14(2)16(4)19(15(13)3)25(23,24)21-12-18(22)20-11-17-8-6-5-7-9-17/h10,17,21H,5-9,11-12H2,1-4H3,(H,20,22)
InChIKeyYEWKRWOYJCNILQ-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(mesitylsulfonyl)(methyl)amino]-N-propylacetamide
CID 1750354
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine
CID 2431957
1-(2,4,5-Trimethyl-benzenesulfonyl)-piperidine-4-carboxylic acid amide
CID 3152853
N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 3319692
2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6466704
N1-((1-((2,5-dimethylphenyl)sulfonyl)pyrrolidin-2-yl)methyl)-N2-phenethyloxalamide
CID 16830012
N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 2530004
4-(5-Tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one
CID 4881842
Cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2635741
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 24686963
2,3,5,6-tetramethyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 852267
Pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 4806787

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide (CID 4791129) is N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCC2CCCCC2)c1C.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide?
The InChIKey is YEWKRWOYJCNILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-13-10-14(2)16(4)19(15(13)3)25(23,24)21-12-18(22)20-11-17-8-6-5-7-9-17/h10,17,21H,5-9,11-12H2,1-4H3,(H,20,22).
What are the key properties of N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide?
N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide has a molecular weight of 366.53 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 4791129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).