2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide

C13H11FN2O2S — CID 7164117

IUPAC2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C13H11FN2O2S/c1-15-12(18)10-5-6-19-13(10)16-11(17)8-3-2-4-9(14)7-8/h2-7H,1H3,(H,15,18)(H,16,17)
InChIKeyIPYPFCZHNASNST-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.50
Rot. Bonds3

About 2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide

2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide (PubChem CID 7164117) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
PubChem CID7164117
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Name2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C13H11FN2O2S/c1-15-12(18)10-5-6-19-13(10)16-11(17)8-3-2-4-9(14)7-8/h2-7H,1H3,(H,15,18)(H,16,17)
InChIKeyIPYPFCZHNASNST-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 3356370
N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide
CID 7167233
2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 16803047
2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 3686157
ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide
CID 145062937
2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid
CID 43171537
2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 7141428
2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[(2,4-dimethoxybenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 5228480
2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
CID 28973919
methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41147034
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide?
The IUPAC name of 2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide (CID 7164117) is 2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide is CNC(=O)c1ccsc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide?
The InChIKey is IPYPFCZHNASNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c1-15-12(18)10-5-6-19-13(10)16-11(17)8-3-2-4-9(14)7-8/h2-7H,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide?
2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 7164117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).