N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide

C21H18FNO2S — CID 1374953

IUPACN-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide
SMILESCc1ccc(C(=O)c2c(NC(=O)c3ccccc3F)sc(C)c2C)cc1
InChIInChI=1S/C21H18FNO2S/c1-12-8-10-15(11-9-12)19(24)18-13(2)14(3)26-21(18)23-20(25)16-6-4-5-7-17(16)22/h4-11H,1-3H3,(H,23,25)
InChIKeyAJQMZQREDXCPGP-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.30
Rot. Bonds4

About N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide

N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide (PubChem CID 1374953) has the molecular formula C21H18FNO2S and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide
PubChem CID1374953
Molecular FormulaC21H18FNO2S
Molecular Weight367.45 g/mol
Exact Mass367.10
IUPAC NameN-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide
SMILESCc1ccc(C(=O)c2c(NC(=O)c3ccccc3F)sc(C)c2C)cc1
InChIInChI=1S/C21H18FNO2S/c1-12-8-10-15(11-9-12)19(24)18-13(2)14(3)26-21(18)23-20(25)16-6-4-5-7-17(16)22/h4-11H,1-3H3,(H,23,25)
InChIKeyAJQMZQREDXCPGP-UHFFFAOYSA-N
XLogP5.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 759965
N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide
CID 10970141
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
2-[(2-fluorobenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide
CID 4950387
4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 3165980
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 29280549
N-[4,5-dimethyl-3-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide
CID 3462505
N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 56695006
N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 1206485
N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]-3-methylbenzamide
CID 3165977
4,5-dimethyl-2-[[2-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 16775676

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide (CID 1374953) is N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide is Cc1ccc(C(=O)c2c(NC(=O)c3ccccc3F)sc(C)c2C)cc1.
What is the InChIKey of N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide?
The InChIKey is AJQMZQREDXCPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2S/c1-12-8-10-15(11-9-12)19(24)18-13(2)14(3)26-21(18)23-20(25)16-6-4-5-7-17(16)22/h4-11H,1-3H3,(H,23,25).
What are the key properties of N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide?
N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide has a molecular weight of 367.45 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 1374953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).