2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide

C20H18ClN3O2S2 — CID 91108104

IUPAC2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide
SMILESO=C(Cc1ccc(C(=O)CSc2ccc(Cl)cc2)s1)Nn1nccc1C1CC1
InChIInChI=1S/C20H18ClN3O2S2/c21-14-3-5-15(6-4-14)27-12-18(25)19-8-7-16(28-19)11-20(26)23-24-17(9-10-22-24)13-1-2-13/h3-10,13H,1-2,11-12H2,(H,23,26)
InChIKeySRDWVQBJKUGYAX-UHFFFAOYSA-N
MW431.97 g/mol
LogP4.76
Rot. Bonds8

About 2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide

2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide (PubChem CID 91108104) has the molecular formula C20H18ClN3O2S2 and a molecular weight of 431.97 g/mol. Its IUPAC name is 2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide.

Molecular Properties

Compound Name2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide
PubChem CID91108104
Molecular FormulaC20H18ClN3O2S2
Molecular Weight431.97 g/mol
Exact Mass431.05
IUPAC Name2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide
SMILESO=C(Cc1ccc(C(=O)CSc2ccc(Cl)cc2)s1)Nn1nccc1C1CC1
InChIInChI=1S/C20H18ClN3O2S2/c21-14-3-5-15(6-4-14)27-12-18(25)19-8-7-16(28-19)11-20(26)23-24-17(9-10-22-24)13-1-2-13/h3-10,13H,1-2,11-12H2,(H,23,26)
InChIKeySRDWVQBJKUGYAX-UHFFFAOYSA-N
XLogP4.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43222109
2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate
CID 6930231
2-(4-chlorophenyl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 7816349
2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone
CID 8673493
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 43222169
2-[5-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]-1-morpholin-4-ylethanone
CID 7486900
1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
CID 43413346
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103641
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24579388
N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55408934
1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
CID 43414112

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide?
The IUPAC name of 2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide (CID 91108104) is 2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide.
What is the SMILES notation for 2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide?
The canonical SMILES for 2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide is O=C(Cc1ccc(C(=O)CSc2ccc(Cl)cc2)s1)Nn1nccc1C1CC1.
What is the InChIKey of 2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide?
The InChIKey is SRDWVQBJKUGYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S2/c21-14-3-5-15(6-4-14)27-12-18(25)19-8-7-16(28-19)11-20(26)23-24-17(9-10-22-24)13-1-2-13/h3-10,13H,1-2,11-12H2,(H,23,26).
What are the key properties of 2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide?
2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide has a molecular weight of 431.97 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide is sourced from PubChem (CID 91108104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).