5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide

C20H19NOS — CID 141211860

IUPAC5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(c2ccc(C)cc2)c2ccc(C(N)=O)s2)cc1
InChIInChI=1S/C20H19NOS/c1-13-3-7-15(8-4-13)19(16-9-5-14(2)6-10-16)17-11-12-18(23-17)20(21)22/h3-12,19H,1-2H3,(H2,21,22)
InChIKeyGVTLBHHVBNRWQB-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.64
Rot. Bonds4

About 5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide

5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 141211860) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is 5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide
PubChem CID141211860
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC Name5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(c2ccc(C)cc2)c2ccc(C(N)=O)s2)cc1
InChIInChI=1S/C20H19NOS/c1-13-3-7-15(8-4-13)19(16-9-5-14(2)6-10-16)17-11-12-18(23-17)20(21)22/h3-12,19H,1-2H3,(H2,21,22)
InChIKeyGVTLBHHVBNRWQB-UHFFFAOYSA-N
XLogP4.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone
CID 10666938
(2S)-2-[4-(1-aminoethylideneamino)phenyl]-2-[(5-benzhydrylthiophene-2-carbonyl)amino]acetic acid
CID 59775023
2-N,2-N-dimethylthiophene-2,5-dicarboxamide
CID 126988322
[4-[(1S)-1-[(5-benzhydrylthiophene-2-carbonyl)amino]-2-hydroxyethyl]phenyl]carbamic acid
CID 69269566
5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide
CID 123196346
(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine
CID 43114608
5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid
CID 92763509
5-[(1R)-1-aminoethyl]thiophene-2-carboxylic acid
CID 58418334
2,3-dihydroxy-3-(4-methylphenyl)propanamide
CID 171867589
ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate
CID 53349062
2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide
CID 112827264
acetyl 2-(4-methylphenyl)propanoate
CID 174752977

Frequently Asked Questions

What is the IUPAC name of 5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide (CID 141211860) is 5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide is Cc1ccc(C(c2ccc(C)cc2)c2ccc(C(N)=O)s2)cc1.
What is the InChIKey of 5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is GVTLBHHVBNRWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c1-13-3-7-15(8-4-13)19(16-9-5-14(2)6-10-16)17-11-12-18(23-17)20(21)22/h3-12,19H,1-2H3,(H2,21,22).
What are the key properties of 5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide?
5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 141211860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).