4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide

C9H11Cl2NO3S2 — CID 71971792

IUPAC4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide
SMILESCS(=O)(=O)NC(=O)CCCc1cc(Cl)sc1Cl
InChIInChI=1S/C9H11Cl2NO3S2/c1-17(14,15)12-8(13)4-2-3-6-5-7(10)16-9(6)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyKDECFSLKTOEKKW-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.45
Rot. Bonds5

About 4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide

4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide (PubChem CID 71971792) has the molecular formula C9H11Cl2NO3S2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide
PubChem CID71971792
Molecular FormulaC9H11Cl2NO3S2
Molecular Weight316.23 g/mol
Exact Mass314.96
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide
SMILESCS(=O)(=O)NC(=O)CCCc1cc(Cl)sc1Cl
InChIInChI=1S/C9H11Cl2NO3S2/c1-17(14,15)12-8(13)4-2-3-6-5-7(10)16-9(6)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyKDECFSLKTOEKKW-UHFFFAOYSA-N
XLogP2.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]-3-methylbutanoic acid
CID 119368098
4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120650802
N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide
CID 120568871
N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride
CID 119421686
4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514202
2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide
CID 71922038
5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine
CID 65305952
4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 71972491
N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide
CID 130682625
4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119651775
5-(2,5-dichlorothiophen-3-yl)pentan-1-amine
CID 65305801
5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid
CID 62932967

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide (CID 71971792) is 4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide is CS(=O)(=O)NC(=O)CCCc1cc(Cl)sc1Cl.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide?
The InChIKey is KDECFSLKTOEKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO3S2/c1-17(14,15)12-8(13)4-2-3-6-5-7(10)16-9(6)11/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide?
4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide has a molecular weight of 316.23 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide is sourced from PubChem (CID 71971792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).