N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide

C21H20N2O3S — CID 7287219

IUPACN,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc(C)c1C
InChIInChI=1S/C21H20N2O3S/c1-13-14(2)27-21(18(13)20(25)22-3)23-19(24)16-11-7-8-12-17(16)26-15-9-5-4-6-10-15/h4-12H,1-3H3,(H,22,25)(H,23,24)
InChIKeyXIYGSJMXRRHZEA-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.77
Rot. Bonds5

About N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide

N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide (PubChem CID 7287219) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide
PubChem CID7287219
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc(C)c1C
InChIInChI=1S/C21H20N2O3S/c1-13-14(2)27-21(18(13)20(25)22-3)23-19(24)16-11-7-8-12-17(16)26-15-9-5-4-6-10-15/h4-12H,1-3H3,(H,22,25)(H,23,24)
InChIKeyXIYGSJMXRRHZEA-UHFFFAOYSA-N
XLogP4.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide
CID 7520924
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
2-phenoxy-N-phenylbenzamide
CID 3402306
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 7520892
2-[(2-phenoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 1251991
4,5-dimethyl-2-[[2-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 16775676
ethyl 6-acetyl-2-[(2-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 5111079
ethyl 4,5-dimethyl-2-[(2-methylsulfonylbenzoyl)amino]thiophene-3-carboxylate
CID 7565512
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 1021509
ethyl 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 759965
N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide
CID 7192379

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide (CID 7287219) is N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide is CNC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc(C)c1C.
What is the InChIKey of N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is XIYGSJMXRRHZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13-14(2)27-21(18(13)20(25)22-3)23-19(24)16-11-7-8-12-17(16)26-15-9-5-4-6-10-15/h4-12H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide?
N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 7287219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).