3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide

C14H15ClN2O2S — CID 43735355

IUPAC3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(C)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O2S/c1-8(12-5-6-13(15)20-12)17-10-7-9(14(16)18)3-4-11(10)19-2/h3-8,17H,1-2H3,(H2,16,18)
InChIKeyIWWPZQXJUBGZTC-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.68
Rot. Bonds5

About 3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide

3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide (PubChem CID 43735355) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide
PubChem CID43735355
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(C)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O2S/c1-8(12-5-6-13(15)20-12)17-10-7-9(14(16)18)3-4-11(10)19-2/h3-8,17H,1-2H3,(H2,16,18)
InChIKeyIWWPZQXJUBGZTC-UHFFFAOYSA-N
XLogP3.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
methyl 4-chloro-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43714756
4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43438946
5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethoxyaniline
CID 43438965
2-(5-carbamoyl-2-methoxyanilino)propanoic acid
CID 66174329
3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide
CID 55964273
4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 43789045
3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43439198
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 17181700
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 43699631
3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide
CID 115928740

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide (CID 43735355) is 3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NC(C)c1ccc(Cl)s1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide?
The InChIKey is IWWPZQXJUBGZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-8(12-5-6-13(15)20-12)17-10-7-9(14(16)18)3-4-11(10)19-2/h3-8,17H,1-2H3,(H2,16,18).
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide?
3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide has a molecular weight of 310.81 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide is sourced from PubChem (CID 43735355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).