2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide

C19H28N2O4S — CID 8705434

IUPAC2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CSC2CCCCC2)cc1OCC
InChIInChI=1S/C19H28N2O4S/c1-3-24-16-11-10-14(12-17(16)25-4-2)20-19(23)21-18(22)13-26-15-8-6-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyPGSAAEQSDMADEW-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.20
Rot. Bonds8

About 2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide

2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide (PubChem CID 8705434) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide
PubChem CID8705434
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CSC2CCCCC2)cc1OCC
InChIInChI=1S/C19H28N2O4S/c1-3-24-16-11-10-14(12-17(16)25-4-2)20-19(23)21-18(22)13-26-15-8-6-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyPGSAAEQSDMADEW-UHFFFAOYSA-N
XLogP4.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964597
2-cyclohexylsulfanyl-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]acetamide
CID 22935551
N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675451
N-[(3,4-diethoxyphenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 8605339
N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712469
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049982
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide
CID 7756293
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580497
N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108519859
2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
CID 18072393

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide?
The IUPAC name of 2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide (CID 8705434) is 2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide is CCOc1ccc(NC(=O)NC(=O)CSC2CCCCC2)cc1OCC.
What is the InChIKey of 2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide?
The InChIKey is PGSAAEQSDMADEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-3-24-16-11-10-14(12-17(16)25-4-2)20-19(23)21-18(22)13-26-15-8-6-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide?
2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide has a molecular weight of 380.51 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide is sourced from PubChem (CID 8705434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).