N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide

C24H26N2O2S — CID 1276587

IUPACN-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide
SMILESCc1cccc(C)c1NC(=O)CSCC(=O)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C24H26N2O2S/c1-16-8-7-9-17(2)24(16)25-22(27)14-29-15-23(28)26-20-12-5-3-10-18(20)19-11-4-6-13-21(19)26/h3,5,7-10,12H,4,6,11,13-15H2,1-2H3,(H,25,27)
InChIKeyBEAJEONSCRBXFP-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.15
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide

N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide (PubChem CID 1276587) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide
PubChem CID1276587
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide
SMILESCc1cccc(C)c1NC(=O)CSCC(=O)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C24H26N2O2S/c1-16-8-7-9-17(2)24(16)25-22(27)14-29-15-23(28)26-20-12-5-3-10-18(20)19-11-4-6-13-21(19)26/h3,5,7-10,12H,4,6,11,13-15H2,1-2H3,(H,25,27)
InChIKeyBEAJEONSCRBXFP-UHFFFAOYSA-N
XLogP5.15
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-[[2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]ethyl]sulfanyl-N-phenylacetamide
CID 4029143
2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 100829916
2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
CID 4143209
4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide
CID 19299956
N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 23099110
N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 22782010
2-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide
CID 19299949
N-[(Z)-1-(2-methylphenyl)-3-oxo-3-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 22193438
3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 23861541
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide
CID 21208701
2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
CID 21212411
6-[[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 18894896

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide (CID 1276587) is N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide is Cc1cccc(C)c1NC(=O)CSCC(=O)n1c2c(c3ccccc31)CCCC2.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide?
The InChIKey is BEAJEONSCRBXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-16-8-7-9-17(2)24(16)25-22(27)14-29-15-23(28)26-20-12-5-3-10-18(20)19-11-4-6-13-21(19)26/h3,5,7-10,12H,4,6,11,13-15H2,1-2H3,(H,25,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide?
N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide has a molecular weight of 406.55 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide is sourced from PubChem (CID 1276587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).