N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide

C17H19NO4S2 — CID 9182921

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
SMILESCOc1ccc([C@@H](CNC(=O)C2CC2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H19NO4S2/c1-22-14-8-6-12(7-9-14)15(11-18-17(19)13-4-5-13)24(20,21)16-3-2-10-23-16/h2-3,6-10,13,15H,4-5,11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyRETQWTSNSYFVPX-OAHLLOKOSA-N
MW365.48 g/mol
LogP2.80
Rot. Bonds7

About N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide

N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide (PubChem CID 9182921) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
PubChem CID9182921
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
SMILESCOc1ccc([C@@H](CNC(=O)C2CC2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H19NO4S2/c1-22-14-8-6-12(7-9-14)15(11-18-17(19)13-4-5-13)24(20,21)16-3-2-10-23-16/h2-3,6-10,13,15H,4-5,11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyRETQWTSNSYFVPX-OAHLLOKOSA-N
XLogP2.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182162
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide
CID 110406562
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 26792423
2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9183001
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 9182900
1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea
CID 9183165
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
CID 9160026
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-methylbenzamide
CID 9183081
2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 22584107
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9181107
N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9181764
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181381

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide (CID 9182921) is N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide is COc1ccc([C@@H](CNC(=O)C2CC2)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide?
The InChIKey is RETQWTSNSYFVPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-22-14-8-6-12(7-9-14)15(11-18-17(19)13-4-5-13)24(20,21)16-3-2-10-23-16/h2-3,6-10,13,15H,4-5,11H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide?
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 9182921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).