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

N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 55368088
5-[3-[[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 126440905
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide
CID 157018493
CID 174412487
CID 174412487
3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid
CID 61006679
5-pyridin-3-ylthiophene-2-carboxamide
CID 142116945
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-N-ethylbenzamide
CID 54987862
5-[3-[[(2S)-1-amino-1-oxohexan-2-yl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 126431934
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-chloro-N-ethylbenzamide
CID 54987663
2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 61021113
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3-hydroxybenzamide
CID 54987785

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).