5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide

C17H20ClNO3S — CID 9418965

IUPAC5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)s2)cc1OCC
InChIInChI=1S/C17H20ClNO3S/c1-4-21-13-7-6-12(10-14(13)22-5-2)11(3)19-17(20)15-8-9-16(18)23-15/h6-11H,4-5H2,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyRUPGIUVHJFXJOA-NSHDSACASA-N
MW353.87 g/mol
LogP4.69
Rot. Bonds7

About 5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide

5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 9418965) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID9418965
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC Name5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)s2)cc1OCC
InChIInChI=1S/C17H20ClNO3S/c1-4-21-13-7-6-12(10-14(13)22-5-2)11(3)19-17(20)15-8-9-16(18)23-15/h6-11H,4-5H2,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyRUPGIUVHJFXJOA-NSHDSACASA-N
XLogP4.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide
CID 26212642
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17395356
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
CID 100521380
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 2573137
N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49318232

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide (CID 9418965) is 5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide is CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)s2)cc1OCC.
What is the InChIKey of 5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is RUPGIUVHJFXJOA-NSHDSACASA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-4-21-13-7-6-12(10-14(13)22-5-2)11(3)19-17(20)15-8-9-16(18)23-15/h6-11H,4-5H2,1-3H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide?
5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 353.87 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9418965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).