2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide

C14H14ClNO3S2 — CID 75427231

IUPAC2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CS(=O)(=O)c2ccccc2Cl)s1
InChIInChI=1S/C14H14ClNO3S2/c1-10-6-7-11(20-10)8-16-14(17)9-21(18,19)13-5-3-2-4-12(13)15/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyHYGANPFNKHQDMM-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 75427231) has the molecular formula C14H14ClNO3S2 and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID75427231
Molecular FormulaC14H14ClNO3S2
Molecular Weight343.86 g/mol
Exact Mass343.01
IUPAC Name2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CS(=O)(=O)c2ccccc2Cl)s1
InChIInChI=1S/C14H14ClNO3S2/c1-10-6-7-11(20-10)8-16-14(17)9-21(18,19)13-5-3-2-4-12(13)15/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyHYGANPFNKHQDMM-UHFFFAOYSA-N
XLogP2.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 47043670
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 110733947
2-(2-chlorophenyl)sulfonylacetamide
CID 13345372
methyl 4-[(5-methylthiophen-2-yl)methylamino]-4-oxobutanoate
CID 110733948
N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 62058099
2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62055681
4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 82832866
N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride
CID 56978110
2-methyl-2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 62846936
2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 66253218

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 75427231) is 2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)CS(=O)(=O)c2ccccc2Cl)s1.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is HYGANPFNKHQDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S2/c1-10-6-7-11(20-10)8-16-14(17)9-21(18,19)13-5-3-2-4-12(13)15/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of 2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 343.86 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 75427231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).