N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide

C22H20N2O3S — CID 59761462

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(O)cc2)s1
InChIInChI=1S/C22H20N2O3S/c1-13-2-3-15(21(26)23-16-6-7-16)12-18(13)24-22(27)20-11-10-19(28-20)14-4-8-17(25)9-5-14/h2-5,8-12,16,25H,6-7H2,1H3,(H,23,26)(H,24,27)
InChIKeyILYNRQUIMSWFFI-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.57
Rot. Bonds5

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide (PubChem CID 59761462) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide
PubChem CID59761462
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(O)cc2)s1
InChIInChI=1S/C22H20N2O3S/c1-13-2-3-15(21(26)23-16-6-7-16)12-18(13)24-22(27)20-11-10-19(28-20)14-4-8-17(25)9-5-14/h2-5,8-12,16,25H,6-7H2,1H3,(H,23,26)(H,24,27)
InChIKeyILYNRQUIMSWFFI-UHFFFAOYSA-N
XLogP4.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide (CID 59761462) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(O)cc2)s1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide?
The InChIKey is ILYNRQUIMSWFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-13-2-3-15(21(26)23-16-6-7-16)12-18(13)24-22(27)20-11-10-19(28-20)14-4-8-17(25)9-5-14/h2-5,8-12,16,25H,6-7H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 59761462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).