2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide

C12H16ClNO2S2 — CID 114234090

IUPAC2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSC(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNO2S2/c1-3-6-14-11(15)7-17-8(2)12(16)9-4-5-10(13)18-9/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyKCMWUHVMEIHJGS-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.23
Rot. Bonds7

About 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide

2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide (PubChem CID 114234090) has the molecular formula C12H16ClNO2S2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide
PubChem CID114234090
Molecular FormulaC12H16ClNO2S2
Molecular Weight305.85 g/mol
Exact Mass305.03
IUPAC Name2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSC(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNO2S2/c1-3-6-14-11(15)7-17-8(2)12(16)9-4-5-10(13)18-9/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyKCMWUHVMEIHJGS-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
CID 60884100
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60540976
3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]amino]propanoic acid
CID 112513571
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide
CID 43435789
2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43802287
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
CID 112510682
5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
CID 64994287
2-[2-amino-1-(4-chlorophenyl)ethyl]sulfanyl-N-propylacetamide
CID 114233402
2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide
CID 115659660
2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 82117947
1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one
CID 61385071

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide (CID 114234090) is 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide is CCCNC(=O)CSC(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide?
The InChIKey is KCMWUHVMEIHJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S2/c1-3-6-14-11(15)7-17-8(2)12(16)9-4-5-10(13)18-9/h4-5,8H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide?
2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide has a molecular weight of 305.85 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 114234090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).