4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide

C21H23NO3S2 — CID 121170103

IUPAC4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NCC(O)(c2ccsc2)c2cccs2)cc1
InChIInChI=1S/C21H23NO3S2/c1-2-3-11-25-18-8-6-16(7-9-18)20(23)22-15-21(24,17-10-13-26-14-17)19-5-4-12-27-19/h4-10,12-14,24H,2-3,11,15H2,1H3,(H,22,23)
InChIKeyHKGZQRCDJKBGOJ-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.65
Rot. Bonds9

About 4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide

4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide (PubChem CID 121170103) has the molecular formula C21H23NO3S2 and a molecular weight of 401.55 g/mol. Its IUPAC name is 4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide
PubChem CID121170103
Molecular FormulaC21H23NO3S2
Molecular Weight401.55 g/mol
Exact Mass401.11
IUPAC Name4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NCC(O)(c2ccsc2)c2cccs2)cc1
InChIInChI=1S/C21H23NO3S2/c1-2-3-11-25-18-8-6-16(7-9-18)20(23)22-15-21(24,17-10-13-26-14-17)19-5-4-12-27-19/h4-10,12-14,24H,2-3,11,15H2,1H3,(H,22,23)
InChIKeyHKGZQRCDJKBGOJ-UHFFFAOYSA-N
XLogP4.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90497055
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
N-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 124878438
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 124760414
1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea
CID 124878238
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide
CID 124759513
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 121170202
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
CID 119640769

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide (CID 121170103) is 4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide is CCCCOc1ccc(C(=O)NCC(O)(c2ccsc2)c2cccs2)cc1.
What is the InChIKey of 4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide?
The InChIKey is HKGZQRCDJKBGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S2/c1-2-3-11-25-18-8-6-16(7-9-18)20(23)22-15-21(24,17-10-13-26-14-17)19-5-4-12-27-19/h4-10,12-14,24H,2-3,11,15H2,1H3,(H,22,23).
What are the key properties of 4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide?
4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide has a molecular weight of 401.55 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 121170103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).