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

C17H21NO4S2 — CID 9182900

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide
SMILESCCCC(=O)NC[C@H](c1ccc(OC)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H21NO4S2/c1-3-5-16(19)18-12-15(13-7-9-14(22-2)10-8-13)24(20,21)17-6-4-11-23-17/h4,6-11,15H,3,5,12H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyVKBVNZJLJXQUJD-OAHLLOKOSA-N
MW367.49 g/mol
LogP3.19
Rot. Bonds8

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

N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide (PubChem CID 9182900) has the molecular formula C17H21NO4S2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide
PubChem CID9182900
Molecular FormulaC17H21NO4S2
Molecular Weight367.49 g/mol
Exact Mass367.09
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide
SMILESCCCC(=O)NC[C@H](c1ccc(OC)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H21NO4S2/c1-3-5-16(19)18-12-15(13-7-9-14(22-2)10-8-13)24(20,21)17-6-4-11-23-17/h4,6-11,15H,3,5,12H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyVKBVNZJLJXQUJD-OAHLLOKOSA-N
XLogP3.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9183001
1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea
CID 9183165
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182921
2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 22584107
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 7268311
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-methylbenzamide
CID 9183081
2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9180474
N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide
CID 9181718
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9181107
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181381
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-thiophen-2-ylsulfonylethyl]-3-methylbutanamide
CID 9158948
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide (CID 9182900) is N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide is CCCC(=O)NC[C@H](c1ccc(OC)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide?
The InChIKey is VKBVNZJLJXQUJD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21NO4S2/c1-3-5-16(19)18-12-15(13-7-9-14(22-2)10-8-13)24(20,21)17-6-4-11-23-17/h4,6-11,15H,3,5,12H2,1-2H3,(H,18,19)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide?
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide has a molecular weight of 367.49 g/mol, XLogP of 3.19, 8 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]butanamide is sourced from PubChem (CID 9182900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).