N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide

C18H20ClNO2S2 — CID 8510309

IUPACN-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(C(=O)CSc2ccccc2Cl)s1
InChIInChI=1S/C18H20ClNO2S2/c1-18(2,3)17(22)20-10-12-8-9-16(24-12)14(21)11-23-15-7-5-4-6-13(15)19/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyNXWKXGCPFODRBV-UHFFFAOYSA-N
MW381.95 g/mol
LogP5.04
Rot. Bonds6

About N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide

N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 8510309) has the molecular formula C18H20ClNO2S2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
PubChem CID8510309
Molecular FormulaC18H20ClNO2S2
Molecular Weight381.95 g/mol
Exact Mass381.06
IUPAC NameN-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(C(=O)CSc2ccccc2Cl)s1
InChIInChI=1S/C18H20ClNO2S2/c1-18(2,3)17(22)20-10-12-8-9-16(24-12)14(21)11-23-15-7-5-4-6-13(15)19/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyNXWKXGCPFODRBV-UHFFFAOYSA-N
XLogP5.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.95
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-bromoacetyl)thiophen-2-yl]methyl]-2,2-dimethylpropanamide
CID 168950979
2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide
CID 8522061
[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxoethyl] 5-methyl-2-phenyltriazole-4-carboxylate
CID 30989324
N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
CID 8522418
N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide
CID 47024740
[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxoethyl] 1H-indole-2-carboxylate
CID 8588200
2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
CID 43231185
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170018
[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 30989456
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-one
CID 66140142
N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 5223865
2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115870141

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide (CID 8510309) is N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2ccccc2Cl)s1.
What is the InChIKey of N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is NXWKXGCPFODRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S2/c1-18(2,3)17(22)20-10-12-8-9-16(24-12)14(21)11-23-15-7-5-4-6-13(15)19/h4-9H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide?
N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 381.95 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 8510309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).