1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea

C17H22N2O4S2 — CID 9183165

IUPAC1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea
SMILESCCCNC(=O)NC[C@H](c1ccc(OC)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H22N2O4S2/c1-3-10-18-17(20)19-12-15(13-6-8-14(23-2)9-7-13)25(21,22)16-5-4-11-24-16/h4-9,11,15H,3,10,12H2,1-2H3,(H2,18,19,20)/t15-/m1/s1
InChIKeyVKWRTDORDCRGJS-OAHLLOKOSA-N
MW382.51 g/mol
LogP2.98
Rot. Bonds8

About 1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea

1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea (PubChem CID 9183165) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea.

Molecular Properties

Compound Name1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea
PubChem CID9183165
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea
SMILESCCCNC(=O)NC[C@H](c1ccc(OC)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H22N2O4S2/c1-3-10-18-17(20)19-12-15(13-6-8-14(23-2)9-7-13)25(21,22)16-5-4-11-24-16/h4-9,11,15H,3,10,12H2,1-2H3,(H2,18,19,20)/t15-/m1/s1
InChIKeyVKWRTDORDCRGJS-OAHLLOKOSA-N
XLogP2.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea with MolForge

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Related Compounds

N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 9182900
2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9183001
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182921
N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide
CID 9181718
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-methylbenzamide
CID 9183081
N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
CID 22584108
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
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181381
1-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea
CID 9167607
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9180474

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea?
The IUPAC name of 1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea (CID 9183165) is 1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea.
What is the SMILES notation for 1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea?
The canonical SMILES for 1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea is CCCNC(=O)NC[C@H](c1ccc(OC)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea?
The InChIKey is VKWRTDORDCRGJS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-3-10-18-17(20)19-12-15(13-6-8-14(23-2)9-7-13)25(21,22)16-5-4-11-24-16/h4-9,11,15H,3,10,12H2,1-2H3,(H2,18,19,20)/t15-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea?
1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea has a molecular weight of 382.51 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea is sourced from PubChem (CID 9183165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).