N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide

C15H13ClN2O2S — CID 100727450

IUPACN-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide
SMILESCO[C@H](CNC(=O)c1cccc(C#N)c1)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2O2S/c1-20-12(13-5-6-14(16)21-13)9-18-15(19)11-4-2-3-10(7-11)8-17/h2-7,12H,9H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyUAQQWOVVUXPFTP-GFCCVEGCSA-N
MW320.80 g/mol
LogP3.39
Rot. Bonds5

About N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide

N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide (PubChem CID 100727450) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide
PubChem CID100727450
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC NameN-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide
SMILESCO[C@H](CNC(=O)c1cccc(C#N)c1)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2O2S/c1-20-12(13-5-6-14(16)21-13)9-18-15(19)11-4-2-3-10(7-11)8-17/h2-7,12H,9H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyUAQQWOVVUXPFTP-GFCCVEGCSA-N
XLogP3.39
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121180192
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
CID 91630969
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide
CID 100728789
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide
CID 121180105
3-cyano-N-(2-ethoxypropyl)benzamide
CID 113241599
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066
5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 90598345
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide?
The IUPAC name of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide (CID 100727450) is N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide.
What is the SMILES notation for N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide?
The canonical SMILES for N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide is CO[C@H](CNC(=O)c1cccc(C#N)c1)c1ccc(Cl)s1.
What is the InChIKey of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide?
The InChIKey is UAQQWOVVUXPFTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-20-12(13-5-6-14(16)21-13)9-18-15(19)11-4-2-3-10(7-11)8-17/h2-7,12H,9H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide?
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide has a molecular weight of 320.80 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide is sourced from PubChem (CID 100727450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).