2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide

C18H17ClN2OS3 — CID 8941071

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
SMILESCc1nc(-c2ccc(CNC(=O)CSCc3ccccc3Cl)s2)cs1
InChIInChI=1S/C18H17ClN2OS3/c1-12-21-16(10-24-12)17-7-6-14(25-17)8-20-18(22)11-23-9-13-4-2-3-5-15(13)19/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeyVXTDJJAYOAWDEF-UHFFFAOYSA-N
MW409.00 g/mol
LogP5.38
Rot. Bonds7

About 2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide (PubChem CID 8941071) has the molecular formula C18H17ClN2OS3 and a molecular weight of 409.00 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
PubChem CID8941071
Molecular FormulaC18H17ClN2OS3
Molecular Weight409.00 g/mol
Exact Mass408.02
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
SMILESCc1nc(-c2ccc(CNC(=O)CSCc3ccccc3Cl)s2)cs1
InChIInChI=1S/C18H17ClN2OS3/c1-12-21-16(10-24-12)17-7-6-14(25-17)8-20-18(22)11-23-9-13-4-2-3-5-15(13)19/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeyVXTDJJAYOAWDEF-UHFFFAOYSA-N
XLogP5.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.00
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 8940367
2-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941562
3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
CID 8941429
1-[(2-chlorophenyl)methyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pyrazole-4-carboxamide
CID 134016060
(3R)-3-acetamido-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-phenylpropanamide
CID 8940560
2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
CID 90647333
4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide
CID 24550813
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 8941478
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 8941199
3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488570
2-[(1R)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941345
2-[(1S)-cyclopent-2-en-1-yl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941337

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide (CID 8941071) is 2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide is Cc1nc(-c2ccc(CNC(=O)CSCc3ccccc3Cl)s2)cs1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide?
The InChIKey is VXTDJJAYOAWDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS3/c1-12-21-16(10-24-12)17-7-6-14(25-17)8-20-18(22)11-23-9-13-4-2-3-5-15(13)19/h2-7,10H,8-9,11H2,1H3,(H,20,22).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide has a molecular weight of 409.00 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 8941071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).