4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide

C19H14N4O3S — CID 5306646

IUPAC4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12
InChIInChI=1S/C19H14N4O3S/c1-11-17(27-23-22-11)19(25)21-15-13-9-5-6-10-14(13)26-16(15)18(24)20-12-7-3-2-4-8-12/h2-10H,1H3,(H,20,24)(H,21,25)
InChIKeyQHSVEIUBKAOMKU-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.10
Rot. Bonds4

About 4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide

4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide (PubChem CID 5306646) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide
PubChem CID5306646
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Name4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12
InChIInChI=1S/C19H14N4O3S/c1-11-17(27-23-22-11)19(25)21-15-13-9-5-6-10-14(13)26-16(15)18(24)20-12-7-3-2-4-8-12/h2-10H,1H3,(H,20,24)(H,21,25)
InChIKeyQHSVEIUBKAOMKU-UHFFFAOYSA-N
XLogP4.10
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea
CID 57396205
N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide
CID 162662447
3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159658
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 16814293
N-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875169
N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46300000
3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
CID 7501768
3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875399
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide (CID 5306646) is 4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12.
What is the InChIKey of 4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide?
The InChIKey is QHSVEIUBKAOMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-11-17(27-23-22-11)19(25)21-15-13-9-5-6-10-14(13)26-16(15)18(24)20-12-7-3-2-4-8-12/h2-10H,1H3,(H,20,24)(H,21,25).
What are the key properties of 4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide?
4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 5306646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).