5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide

C13H14ClNO2S2 — CID 90598345

IUPAC5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESCOC(CNC(=O)c1ccc(Cl)s1)c1ccc(C)s1
InChIInChI=1S/C13H14ClNO2S2/c1-8-3-4-10(18-8)9(17-2)7-15-13(16)11-5-6-12(14)19-11/h3-6,9H,7H2,1-2H3,(H,15,16)
InChIKeyISTMVSUDCAPQPD-UHFFFAOYSA-N
MW315.85 g/mol
LogP3.89
Rot. Bonds5

About 5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide

5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 90598345) has the molecular formula C13H14ClNO2S2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID90598345
Molecular FormulaC13H14ClNO2S2
Molecular Weight315.85 g/mol
Exact Mass315.02
IUPAC Name5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESCOC(CNC(=O)c1ccc(Cl)s1)c1ccc(C)s1
InChIInChI=1S/C13H14ClNO2S2/c1-8-3-4-10(18-8)9(17-2)7-15-13(16)11-5-6-12(14)19-11/h3-6,9H,7H2,1-2H3,(H,15,16)
InChIKeyISTMVSUDCAPQPD-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598394
5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598388
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]furan-2-carboxamide
CID 97417363
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 97417384
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
CID 91630969
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810443
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide
CID 100728789
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
CID 124892530
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121180192
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971
5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide
CID 121180187

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide (CID 90598345) is 5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide is COC(CNC(=O)c1ccc(Cl)s1)c1ccc(C)s1.
What is the InChIKey of 5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is ISTMVSUDCAPQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S2/c1-8-3-4-10(18-8)9(17-2)7-15-13(16)11-5-6-12(14)19-11/h3-6,9H,7H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 315.85 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 90598345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).