2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide

C19H14F2N2O3S — CID 2132378

IUPAC2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H14F2N2O3S/c20-19(21)26-13-8-6-12(7-9-13)17(25)23-18-14(16(22)24)10-15(27-18)11-4-2-1-3-5-11/h1-10,19H,(H2,22,24)(H,23,25)
InChIKeySXRGBBSPIQXETB-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.37
Rot. Bonds6

About 2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide

2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide (PubChem CID 2132378) has the molecular formula C19H14F2N2O3S and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide
PubChem CID2132378
Molecular FormulaC19H14F2N2O3S
Molecular Weight388.40 g/mol
Exact Mass388.07
IUPAC Name2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H14F2N2O3S/c20-19(21)26-13-8-6-12(7-9-13)17(25)23-18-14(16(22)24)10-15(27-18)11-4-2-1-3-5-11/h1-10,19H,(H2,22,24)(H,23,25)
InChIKeySXRGBBSPIQXETB-UHFFFAOYSA-N
XLogP4.37
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Flt-3 inhibitor
CID 1048845
N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-(1-pyrrolidinyl)acetamide
CID 2814375
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
2-(3,4-Dimethoxybenzamido)-4,5-dimethylthiophene-3-carboxamide
CID 841038
2-(3-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 961926
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2306193
2-(3,4-Dimethoxybenzamido)thiophene-3-carboxamide
CID 4106590
N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazinyl)acetamide
CID 2814376
2-[2-(2-Methoxyphenyl)acetylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbo xamide
CID 674573
2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide
CID 2104820
4-(2,4-Dichlorophenyl)-2-[(4-methoxybenzoyl)amino]-3-thiophenecarboxamide
CID 996008
5-{[5-Ethyl-3-(4-methoxybenzoyl)-2-thienyl]amino}-3,3-dimethyl-5-oxopentanoic acid
CID 2814703

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide (CID 2132378) is 2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is SXRGBBSPIQXETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O3S/c20-19(21)26-13-8-6-12(7-9-13)17(25)23-18-14(16(22)24)10-15(27-18)11-4-2-1-3-5-11/h1-10,19H,(H2,22,24)(H,23,25).
What are the key properties of 2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide?
2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 2132378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).