2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide

C16H19ClN2O3S2 — CID 30769720

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)c1ccccc1C
InChIInChI=1S/C16H19ClN2O3S2/c1-4-19(13-8-6-5-7-12(13)2)15(20)11-18(3)24(21,22)16-10-9-14(17)23-16/h5-10H,4,11H2,1-3H3
InChIKeyCZMQRVSEOVAJSX-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.38
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide (PubChem CID 30769720) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide
PubChem CID30769720
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)c1ccccc1C
InChIInChI=1S/C16H19ClN2O3S2/c1-4-19(13-8-6-5-7-12(13)2)15(20)11-18(3)24(21,22)16-10-9-14(17)23-16/h5-10H,4,11H2,1-3H3
InChIKeyCZMQRVSEOVAJSX-UHFFFAOYSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide (CID 30769720) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide is CCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)c1ccccc1C.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide?
The InChIKey is CZMQRVSEOVAJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c1-4-19(13-8-6-5-7-12(13)2)15(20)11-18(3)24(21,22)16-10-9-14(17)23-16/h5-10H,4,11H2,1-3H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide has a molecular weight of 386.93 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 30769720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).