2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide

C16H17ClN2O3S — CID 7425464

IUPAC2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c(C(N)=O)c1C
InChIInChI=1S/C16H17ClN2O3S/c1-8-10(3)23-16(13(8)14(18)20)19-15(21)9(2)22-12-7-5-4-6-11(12)17/h4-7,9H,1-3H3,(H2,18,20)(H,19,21)/t9-/m1/s1
InChIKeyWWCQDXAULKGWPD-SECBINFHSA-N
MW352.84 g/mol
LogP3.52
Rot. Bonds5

About 2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 7425464) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID7425464
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c(C(N)=O)c1C
InChIInChI=1S/C16H17ClN2O3S/c1-8-10(3)23-16(13(8)14(18)20)19-15(21)9(2)22-12-7-5-4-6-11(12)17/h4-7,9H,1-3H3,(H2,18,20)(H,19,21)/t9-/m1/s1
InChIKeyWWCQDXAULKGWPD-SECBINFHSA-N
XLogP3.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide
CID 7378277
methyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7289997
methyl 2-[[(2S)-2-(2-bromophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 1282935
4,5-dimethyl-2-[2-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide
CID 2971404
2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide
CID 45153926
2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168955
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
(2S)-2-(2-chlorophenoxy)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100566516
2-(2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133202145
2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 1370889
ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 47393625
ethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-1-benzothiophene-3-carboxylate
CID 5128620

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 7425464) is 2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c(C(N)=O)c1C.
What is the InChIKey of 2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is WWCQDXAULKGWPD-SECBINFHSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-8-10(3)23-16(13(8)14(18)20)19-15(21)9(2)22-12-7-5-4-6-11(12)17/h4-7,9H,1-3H3,(H2,18,20)(H,19,21)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 352.84 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 7425464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).