N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide

C25H25NO2S — CID 58328257

IUPACN-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)CC4CC4)ccc3C)s2)c(C)c1
InChIInChI=1S/C25H25NO2S/c1-15-4-9-20(17(3)12-15)23-10-11-24(29-23)25(28)26-21-14-19(8-5-16(21)2)22(27)13-18-6-7-18/h4-5,8-12,14,18H,6-7,13H2,1-3H3,(H,26,28)
InChIKeyVQALKFBARDSIDA-UHFFFAOYSA-N
MW403.55 g/mol
LogP6.58
Rot. Bonds6

About N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide

N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide (PubChem CID 58328257) has the molecular formula C25H25NO2S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide
PubChem CID58328257
Molecular FormulaC25H25NO2S
Molecular Weight403.55 g/mol
Exact Mass403.16
IUPAC NameN-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)CC4CC4)ccc3C)s2)c(C)c1
InChIInChI=1S/C25H25NO2S/c1-15-4-9-20(17(3)12-15)23-10-11-24(29-23)25(28)26-21-14-19(8-5-16(21)2)22(27)13-18-6-7-18/h4-5,8-12,14,18H,6-7,13H2,1-3H3,(H,26,28)
InChIKeyVQALKFBARDSIDA-UHFFFAOYSA-N
XLogP6.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]thiophene-2-carboxamide
CID 58328209
5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
CID 58328185
5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 123461934
5-(2-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-4-phenylthiophene-2-carboxamide;N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide;N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide
CID 158285588
5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 59761393
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59761459
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-isocyanophenyl)thiophene-2-carboxamide
CID 59761442
2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide
CID 58328231
N-(2,5-dimethylphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 26909368
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)thiophene-2-carboxamide
CID 4731603
tert-butyl 4-[4-[5-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]benzoyl]piperazine-1-carboxylate
CID 59761404
1-(4-bromo-3-methylphenyl)-2-cyclopropylethanone
CID 114974638

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide (CID 58328257) is N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)CC4CC4)ccc3C)s2)c(C)c1.
What is the InChIKey of N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide?
The InChIKey is VQALKFBARDSIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2S/c1-15-4-9-20(17(3)12-15)23-10-11-24(29-23)25(28)26-21-14-19(8-5-16(21)2)22(27)13-18-6-7-18/h4-5,8-12,14,18H,6-7,13H2,1-3H3,(H,26,28).
What are the key properties of N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide?
N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 58328257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).