2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide

C21H18N4O2S — CID 121254616

IUPAC2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide
SMILESCc1cccc(NC(=O)Nc2csc(-c3cc4ccccc4n3C(N)=O)c2)c1
InChIInChI=1S/C21H18N4O2S/c1-13-5-4-7-15(9-13)23-21(27)24-16-11-19(28-12-16)18-10-14-6-2-3-8-17(14)25(18)20(22)26/h2-12H,1H3,(H2,22,26)(H2,23,24,27)
InChIKeyIBADDEIFJVKJOS-UHFFFAOYSA-N
MW390.47 g/mol
LogP5.25
Rot. Bonds3

About 2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide

2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide (PubChem CID 121254616) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide.

Molecular Properties

Compound Name2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide
PubChem CID121254616
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide
SMILESCc1cccc(NC(=O)Nc2csc(-c3cc4ccccc4n3C(N)=O)c2)c1
InChIInChI=1S/C21H18N4O2S/c1-13-5-4-7-15(9-13)23-21(27)24-16-11-19(28-12-16)18-10-14-6-2-3-8-17(14)25(18)20(22)26/h2-12H,1H3,(H2,22,26)(H2,23,24,27)
InChIKeyIBADDEIFJVKJOS-UHFFFAOYSA-N
XLogP5.25
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.47
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide?
The IUPAC name of 2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide (CID 121254616) is 2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide.
What is the SMILES notation for 2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide?
The canonical SMILES for 2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide is Cc1cccc(NC(=O)Nc2csc(-c3cc4ccccc4n3C(N)=O)c2)c1.
What is the InChIKey of 2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide?
The InChIKey is IBADDEIFJVKJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13-5-4-7-15(9-13)23-21(27)24-16-11-19(28-12-16)18-10-14-6-2-3-8-17(14)25(18)20(22)26/h2-12H,1H3,(H2,22,26)(H2,23,24,27).
What are the key properties of 2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide?
2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 5.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide is sourced from PubChem (CID 121254616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).