2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide

C15H17ClN2O4S2 — CID 90865426

IUPAC2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide
SMILESCOC(C)(C(N)=O)c1cscc1NS(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C15H17ClN2O4S2/c1-9-11(16)5-4-6-13(9)24(20,21)18-12-8-23-7-10(12)15(2,22-3)14(17)19/h4-8,18H,1-3H3,(H2,17,19)
InChIKeyHFTHURROUYNSPX-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.86
Rot. Bonds6

About 2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide

2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide (PubChem CID 90865426) has the molecular formula C15H17ClN2O4S2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide
PubChem CID90865426
Molecular FormulaC15H17ClN2O4S2
Molecular Weight388.90 g/mol
Exact Mass388.03
IUPAC Name2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide
SMILESCOC(C)(C(N)=O)c1cscc1NS(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C15H17ClN2O4S2/c1-9-11(16)5-4-6-13(9)24(20,21)18-12-8-23-7-10(12)15(2,22-3)14(17)19/h4-8,18H,1-3H3,(H2,17,19)
InChIKeyHFTHURROUYNSPX-UHFFFAOYSA-N
XLogP2.86
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide
CID 91435720
3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide
CID 10287096
3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide
CID 10237732
[(3-chloro-2-methylphenyl)sulfonylamino]thiourea
CID 65214851
2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide
CID 10286794
methyl 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 87026690
3,3-bis[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]-4-ethoxy-4-oxobutanoic acid
CID 90903195
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 86824893
3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
CID 21081335
3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide
CID 10193584

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide?
The IUPAC name of 2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide (CID 90865426) is 2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide.
What is the SMILES notation for 2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide?
The canonical SMILES for 2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide is COC(C)(C(N)=O)c1cscc1NS(=O)(=O)c1cccc(Cl)c1C.
What is the InChIKey of 2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide?
The InChIKey is HFTHURROUYNSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4S2/c1-9-11(16)5-4-6-13(9)24(20,21)18-12-8-23-7-10(12)15(2,22-3)14(17)19/h4-8,18H,1-3H3,(H2,17,19).
What are the key properties of 2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide?
2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide has a molecular weight of 388.90 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide is sourced from PubChem (CID 90865426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).