N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C21H18N4O4S — CID 33318793

IUPACN-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NNC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C21H18N4O4S/c1-12-10-17(22-20(27)16-8-5-9-29-16)30-18(12)21(28)24-23-19(26)14-11-25(2)15-7-4-3-6-13(14)15/h3-11H,1-2H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyPBNWLJBCTXWREP-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.47
Rot. Bonds4

About N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 33318793) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID33318793
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC NameN-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NNC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C21H18N4O4S/c1-12-10-17(22-20(27)16-8-5-9-29-16)30-18(12)21(28)24-23-19(26)14-11-25(2)15-7-4-3-6-13(14)15/h3-11H,1-2H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyPBNWLJBCTXWREP-UHFFFAOYSA-N
XLogP3.47
TPSA105.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928
N-[5-[(2,4-dimethylphenyl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46587658
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[5-[(1-amino-2-methylpropan-2-yl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 119522920
N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 39983594
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
4-methyl-N'-(1-methylindole-3-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160995
N-[4-methyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31850637
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 47739437

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 33318793) is N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)NNC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is PBNWLJBCTXWREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-12-10-17(22-20(27)16-8-5-9-29-16)30-18(12)21(28)24-23-19(26)14-11-25(2)15-7-4-3-6-13(14)15/h3-11H,1-2H3,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 33318793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).