N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C20H20N2O3S — CID 55591959

IUPACN-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCN(C(=O)c1ccc(NC(=O)c2ccco2)s1)c1cc(C)ccc1C
InChIInChI=1S/C20H20N2O3S/c1-4-22(15-12-13(2)7-8-14(15)3)20(24)17-9-10-18(26-17)21-19(23)16-6-5-11-25-16/h5-12H,4H2,1-3H3,(H,21,23)
InChIKeyGNDDXIDTRLMBDH-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.88
Rot. Bonds5

About N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55591959) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID55591959
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCN(C(=O)c1ccc(NC(=O)c2ccco2)s1)c1cc(C)ccc1C
InChIInChI=1S/C20H20N2O3S/c1-4-22(15-12-13(2)7-8-14(15)3)20(24)17-9-10-18(26-17)21-19(23)16-6-5-11-25-16/h5-12H,4H2,1-3H3,(H,21,23)
InChIKeyGNDDXIDTRLMBDH-UHFFFAOYSA-N
XLogP4.88
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 86973700
N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55516916
N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51331595
N-[5-[ethyl(thiophen-2-ylmethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33032895
N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31306387
N-[5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 30889943
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31303145
ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55510366
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 46519679
N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 32909045
N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31309961

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55591959) is N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is CCN(C(=O)c1ccc(NC(=O)c2ccco2)s1)c1cc(C)ccc1C.
What is the InChIKey of N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is GNDDXIDTRLMBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-4-22(15-12-13(2)7-8-14(15)3)20(24)17-9-10-18(26-17)21-19(23)16-6-5-11-25-16/h5-12H,4H2,1-3H3,(H,21,23).
What are the key properties of N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55591959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).