5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide

C16H18N2O2S — CID 72914641

IUPAC5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccc(C(N)=O)s2)c1
InChIInChI=1S/C16H18N2O2S/c1-3-18(4-2)16(20)12-7-5-6-11(10-12)13-8-9-14(21-13)15(17)19/h5-10H,3-4H2,1-2H3,(H2,17,19)
InChIKeyIMPQKSOYTMWRCD-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.00
Rot. Bonds5

About 5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide

5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 72914641) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID72914641
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccc(C(N)=O)s2)c1
InChIInChI=1S/C16H18N2O2S/c1-3-18(4-2)16(20)12-7-5-6-11(10-12)13-8-9-14(21-13)15(17)19/h5-10H,3-4H2,1-2H3,(H2,17,19)
InChIKeyIMPQKSOYTMWRCD-UHFFFAOYSA-N
XLogP3.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thienopyridone
CID 91383855
2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3c
CID 25023797
Thiophene derivative, 3e
CID 25023798
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}butyl]benzamide
CID 23647084

Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 72914641) is 5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide is CCN(CC)C(=O)c1cccc(-c2ccc(C(N)=O)s2)c1.
What is the InChIKey of 5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is IMPQKSOYTMWRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-18(4-2)16(20)12-7-5-6-11(10-12)13-8-9-14(21-13)15(17)19/h5-10H,3-4H2,1-2H3,(H2,17,19).
What are the key properties of 5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide?
5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 72914641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).