N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide

C27H26N4O2S — CID 46145542

IUPACN-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide
SMILESCc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C(=O)c3cccs3)C3CC3)n2)cc1
InChIInChI=1S/C27H26N4O2S/c1-18-5-9-20(10-6-18)23-16-31(22-11-7-19(2)8-12-22)27(28-23)29-25(32)17-30(21-13-14-21)26(33)24-4-3-15-34-24/h3-12,15-16,21H,13-14,17H2,1-2H3,(H,28,29,32)
InChIKeyRXIRTVNZTRUZBN-UHFFFAOYSA-N
MW470.60 g/mol
LogP5.46
Rot. Bonds7

About N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide

N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide (PubChem CID 46145542) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide
PubChem CID46145542
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC NameN-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide
SMILESCc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C(=O)c3cccs3)C3CC3)n2)cc1
InChIInChI=1S/C27H26N4O2S/c1-18-5-9-20(10-6-18)23-16-31(22-11-7-19(2)8-12-22)27(28-23)29-25(32)17-30(21-13-14-21)26(33)24-4-3-15-34-24/h3-12,15-16,21H,13-14,17H2,1-2H3,(H,28,29,32)
InChIKeyRXIRTVNZTRUZBN-UHFFFAOYSA-N
XLogP5.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.60
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide (CID 46145542) is N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide is Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C(=O)c3cccs3)C3CC3)n2)cc1.
What is the InChIKey of N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is RXIRTVNZTRUZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-18-5-9-20(10-6-18)23-16-31(22-11-7-19(2)8-12-22)27(28-23)29-25(32)17-30(21-13-14-21)26(33)24-4-3-15-34-24/h3-12,15-16,21H,13-14,17H2,1-2H3,(H,28,29,32).
What are the key properties of N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide?
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 46145542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).