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

C22H20N4O2S — CID 121254613

IUPAC2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide
SMILESCCc1cccc(NC(=O)Nc2csc(-c3cc4ccccc4n3C(N)=O)c2)c1
InChIInChI=1S/C22H20N4O2S/c1-2-14-6-5-8-16(10-14)24-22(28)25-17-12-20(29-13-17)19-11-15-7-3-4-9-18(15)26(19)21(23)27/h3-13H,2H2,1H3,(H2,23,27)(H2,24,25,28)
InChIKeyYDTJZVVELNGMQL-UHFFFAOYSA-N
MW404.50 g/mol
LogP5.50
Rot. Bonds4

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

2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide (PubChem CID 121254613) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide.

Molecular Properties

Compound Name2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide
PubChem CID121254613
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide
SMILESCCc1cccc(NC(=O)Nc2csc(-c3cc4ccccc4n3C(N)=O)c2)c1
InChIInChI=1S/C22H20N4O2S/c1-2-14-6-5-8-16(10-14)24-22(28)25-17-12-20(29-13-17)19-11-15-7-3-4-9-18(15)26(19)21(23)27/h3-13H,2H2,1H3,(H2,23,27)(H2,24,25,28)
InChIKeyYDTJZVVELNGMQL-UHFFFAOYSA-N
XLogP5.50
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide?
The IUPAC name of 2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide (CID 121254613) is 2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide.
What is the SMILES notation for 2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide?
The canonical SMILES for 2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide is CCc1cccc(NC(=O)Nc2csc(-c3cc4ccccc4n3C(N)=O)c2)c1.
What is the InChIKey of 2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide?
The InChIKey is YDTJZVVELNGMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-2-14-6-5-8-16(10-14)24-22(28)25-17-12-20(29-13-17)19-11-15-7-3-4-9-18(15)26(19)21(23)27/h3-13H,2H2,1H3,(H2,23,27)(H2,24,25,28).
What are the key properties of 2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide?
2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 5.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide is sourced from PubChem (CID 121254613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).