N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide

C17H26N2O5S — CID 1316831

IUPACN-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C17H26N2O5S/c1-19(12-17(20)18-13-7-5-4-6-8-13)25(21,22)14-9-10-15(23-2)16(11-14)24-3/h9-11,13H,4-8,12H2,1-3H3,(H,18,20)
InChIKeyOPEWOYXMRATTQS-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.77
Rot. Bonds7

About N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide

N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 1316831) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID1316831
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC NameN-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C17H26N2O5S/c1-19(12-17(20)18-13-7-5-4-6-8-13)25(21,22)14-9-10-15(23-2)16(11-14)24-3/h9-11,13H,4-8,12H2,1-3H3,(H,18,20)
InChIKeyOPEWOYXMRATTQS-UHFFFAOYSA-N
XLogP1.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclohexyl(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10807240
(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide
CID 57401604
3,4-Dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 969641
N~1~-cyclopropyl-N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 969683
3,4-dimethoxy-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzenesulfonamide
CID 2810730
3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6470989
Acetamide, 2-[(3,4-dimethoxybenzenesulfonyl)(methyl)amino]-N-phenethyl-
CID 3511426
N-(2-Azepan-1-yl-2-oxo-ethyl)-3,4-dimethoxy-N-methyl-benzenesulfonamide
CID 1085404
(S)-2-{[(S)-1-(3,4-Dimethoxy-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-hexanoic acid
CID 44324856
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2946677
2-[(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-methyl-amino]-N-(2-methoxy-ethyl)-acetamide
CID 649997
N-cyclopropyl-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 894252

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide (CID 1316831) is N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1OC.
What is the InChIKey of N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is OPEWOYXMRATTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-19(12-17(20)18-13-7-5-4-6-8-13)25(21,22)14-9-10-15(23-2)16(11-14)24-3/h9-11,13H,4-8,12H2,1-3H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 370.47 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 1316831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).