2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide

C14H15ClN2OS — CID 62346089

IUPAC2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
SMILESCCc1ccc(CNc2ccc(C(N)=O)c(Cl)c2)s1
InChIInChI=1S/C14H15ClN2OS/c1-2-10-4-5-11(19-10)8-17-9-3-6-12(14(16)18)13(15)7-9/h3-7,17H,2,8H2,1H3,(H2,16,18)
InChIKeyXNHUNYZMNDRHNR-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.67
Rot. Bonds5

About 2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide

2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide (PubChem CID 62346089) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
PubChem CID62346089
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
SMILESCCc1ccc(CNc2ccc(C(N)=O)c(Cl)c2)s1
InChIInChI=1S/C14H15ClN2OS/c1-2-10-4-5-11(19-10)8-17-9-3-6-12(14(16)18)13(15)7-9/h3-7,17H,2,8H2,1H3,(H2,16,18)
InChIKeyXNHUNYZMNDRHNR-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[(5-ethylthiophen-2-yl)methylamino]benzenecarbothioamide
CID 106010373
4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide
CID 104880016
2-chloro-4-[(4-cyanothiophen-2-yl)methylamino]benzamide
CID 79613768
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
methyl 2-[5-[(3,4-dichloroanilino)methyl]thiophen-2-yl]acetate
CID 82894984
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide
CID 43736377
2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 61261202
2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874084
4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 106010377
2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide
CID 115523744
4-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzamide
CID 43736492

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide?
The IUPAC name of 2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide (CID 62346089) is 2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide?
The canonical SMILES for 2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide is CCc1ccc(CNc2ccc(C(N)=O)c(Cl)c2)s1.
What is the InChIKey of 2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide?
The InChIKey is XNHUNYZMNDRHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-2-10-4-5-11(19-10)8-17-9-3-6-12(14(16)18)13(15)7-9/h3-7,17H,2,8H2,1H3,(H2,16,18).
What are the key properties of 2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide?
2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide has a molecular weight of 294.81 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide is sourced from PubChem (CID 62346089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).