2-[(4-chlorothiophen-2-yl)methylamino]benzamide

C12H11ClN2OS — CID 165432866

IUPAC2-[(4-chlorothiophen-2-yl)methylamino]benzamide
SMILESNC(=O)c1ccccc1NCc1cc(Cl)cs1
InChIInChI=1S/C12H11ClN2OS/c13-8-5-9(17-7-8)6-15-11-4-2-1-3-10(11)12(14)16/h1-5,7,15H,6H2,(H2,14,16)
InChIKeyVJXCSYUOLYGCEK-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.11
Rot. Bonds4

About 2-[(4-chlorothiophen-2-yl)methylamino]benzamide

2-[(4-chlorothiophen-2-yl)methylamino]benzamide (PubChem CID 165432866) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-[(4-chlorothiophen-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-[(4-chlorothiophen-2-yl)methylamino]benzamide
PubChem CID165432866
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-[(4-chlorothiophen-2-yl)methylamino]benzamide
SMILESNC(=O)c1ccccc1NCc1cc(Cl)cs1
InChIInChI=1S/C12H11ClN2OS/c13-8-5-9(17-7-8)6-15-11-4-2-1-3-10(11)12(14)16/h1-5,7,15H,6H2,(H2,14,16)
InChIKeyVJXCSYUOLYGCEK-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-2-methylaniline
CID 79420207
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
CID 79614071
5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide
CID 79614589
5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
CID 79606552
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 79419893
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007
N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79420664
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 79419901
2-(chloroamino)benzamide
CID 54562633
4-N-[(4-chlorothiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486438

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorothiophen-2-yl)methylamino]benzamide?
The IUPAC name of 2-[(4-chlorothiophen-2-yl)methylamino]benzamide (CID 165432866) is 2-[(4-chlorothiophen-2-yl)methylamino]benzamide.
What is the SMILES notation for 2-[(4-chlorothiophen-2-yl)methylamino]benzamide?
The canonical SMILES for 2-[(4-chlorothiophen-2-yl)methylamino]benzamide is NC(=O)c1ccccc1NCc1cc(Cl)cs1.
What is the InChIKey of 2-[(4-chlorothiophen-2-yl)methylamino]benzamide?
The InChIKey is VJXCSYUOLYGCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-8-5-9(17-7-8)6-15-11-4-2-1-3-10(11)12(14)16/h1-5,7,15H,6H2,(H2,14,16).
What are the key properties of 2-[(4-chlorothiophen-2-yl)methylamino]benzamide?
2-[(4-chlorothiophen-2-yl)methylamino]benzamide has a molecular weight of 266.75 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorothiophen-2-yl)methylamino]benzamide is sourced from PubChem (CID 165432866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).