N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide

C17H23NO3S — CID 110774290

IUPACN-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCS2(=O)=O)NC1CCCCC1
InChIInChI=1S/C17H23NO3S/c19-17(18-15-6-2-1-3-7-15)12-13-8-9-16-14(11-13)5-4-10-22(16,20)21/h8-9,11,15H,1-7,10,12H2,(H,18,19)
InChIKeyVJLPMQZVOONSTO-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.40
Rot. Bonds3

About N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide

N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide (PubChem CID 110774290) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
PubChem CID110774290
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC NameN-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCS2(=O)=O)NC1CCCCC1
InChIInChI=1S/C17H23NO3S/c19-17(18-15-6-2-1-3-7-15)12-13-8-9-16-14(11-13)5-4-10-22(16,20)21/h8-9,11,15H,1-7,10,12H2,(H,18,19)
InChIKeyVJLPMQZVOONSTO-UHFFFAOYSA-N
XLogP2.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 116932296
N-benzyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 110774303
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110774306
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide
CID 110774336
N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110774353
N-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110787019
2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methylamino]acetic acid
CID 115218041
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
N-cyclopentyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 60569006
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide (CID 110774290) is N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide is O=C(Cc1ccc2c(c1)CCCS2(=O)=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide?
The InChIKey is VJLPMQZVOONSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c19-17(18-15-6-2-1-3-7-15)12-13-8-9-16-14(11-13)5-4-10-22(16,20)21/h8-9,11,15H,1-7,10,12H2,(H,18,19).
What are the key properties of N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide?
N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide has a molecular weight of 321.44 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide is sourced from PubChem (CID 110774290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).