5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide

C12H10Cl2N2OS — CID 79614071

IUPAC5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H10Cl2N2OS/c13-9-2-1-3-10(11(9)14)16-5-8-4-7(6-18-8)12(15)17/h1-4,6,16H,5H2,(H2,15,17)
InChIKeyCOTPSNRIDBEVMJ-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.77
Rot. Bonds4

About 5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide

5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide (PubChem CID 79614071) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
PubChem CID79614071
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H10Cl2N2OS/c13-9-2-1-3-10(11(9)14)16-5-8-4-7(6-18-8)12(15)17/h1-4,6,16H,5H2,(H2,15,17)
InChIKeyCOTPSNRIDBEVMJ-UHFFFAOYSA-N
XLogP3.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide
CID 79614589
5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
CID 79606552
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
CID 79613750
5-[(2,3-dichloroanilino)methyl]thiophene-3-carbonitrile
CID 79614072
2-[(4-chlorothiophen-2-yl)methylamino]benzamide
CID 165432866
5-[(3-ethylanilino)methyl]thiophene-3-carboxamide
CID 79606559
5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide
CID 79611377
2-[(2,3-dichloroanilino)methyl]benzamide
CID 28774931
4-[(4-carbamoylthiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 79614700

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide (CID 79614071) is 5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide?
The InChIKey is COTPSNRIDBEVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-9-2-1-3-10(11(9)14)16-5-8-4-7(6-18-8)12(15)17/h1-4,6,16H,5H2,(H2,15,17).
What are the key properties of 5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide?
5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide has a molecular weight of 301.20 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).