3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide

C23H31NO4S — CID 121179059

IUPAC3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)cc1OCC
InChIInChI=1S/C23H31NO4S/c1-4-27-18-9-8-17(14-19(18)28-5-2)22(26)24-15-23(12-6-7-13-23)21-11-10-20(29-21)16(3)25/h8-11,14,16,25H,4-7,12-13,15H2,1-3H3,(H,24,26)
InChIKeyULUJCJJUFDGBSN-UHFFFAOYSA-N
MW417.57 g/mol
LogP4.84
Rot. Bonds9

About 3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide

3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide (PubChem CID 121179059) has the molecular formula C23H31NO4S and a molecular weight of 417.57 g/mol. Its IUPAC name is 3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
PubChem CID121179059
Molecular FormulaC23H31NO4S
Molecular Weight417.57 g/mol
Exact Mass417.20
IUPAC Name3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)cc1OCC
InChIInChI=1S/C23H31NO4S/c1-4-27-18-9-8-17(14-19(18)28-5-2)22(26)24-15-23(12-6-7-13-23)21-11-10-20(29-21)16(3)25/h8-11,14,16,25H,4-7,12-13,15H2,1-3H3,(H,24,26)
InChIKeyULUJCJJUFDGBSN-UHFFFAOYSA-N
XLogP4.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.57
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720415
4-(dimethylamino)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121178983
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide
CID 121178991
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121178927
4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179080
2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179034
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91817464
2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720519
1-(4-butoxyphenyl)-3-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]urea
CID 121179330
2-(2,5-dioxopyrrolidin-1-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 91817474
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide
CID 121179107
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide (CID 121179059) is 3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide is CCOc1ccc(C(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide?
The InChIKey is ULUJCJJUFDGBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4S/c1-4-27-18-9-8-17(14-19(18)28-5-2)22(26)24-15-23(12-6-7-13-23)21-11-10-20(29-21)16(3)25/h8-11,14,16,25H,4-7,12-13,15H2,1-3H3,(H,24,26).
What are the key properties of 3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide?
3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide has a molecular weight of 417.57 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide is sourced from PubChem (CID 121179059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).