2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide

C17H19ClN2O3S — CID 1370889

IUPAC2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1C(N)=O
InChIInChI=1S/C17H19ClN2O3S/c1-4-13-10(3)24-17(14(13)15(19)21)20-16(22)9(2)23-12-7-5-6-11(18)8-12/h5-9H,4H2,1-3H3,(H2,19,21)(H,20,22)/t9-/m1/s1
InChIKeyTUIYUVANEPSQQH-SECBINFHSA-N
MW366.87 g/mol
LogP3.78
Rot. Bonds6

About 2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide

2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide (PubChem CID 1370889) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
PubChem CID1370889
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1C(N)=O
InChIInChI=1S/C17H19ClN2O3S/c1-4-13-10(3)24-17(14(13)15(19)21)20-16(22)9(2)23-12-7-5-6-11(18)8-12/h5-9H,4H2,1-3H3,(H2,19,21)(H,20,22)/t9-/m1/s1
InChIKeyTUIYUVANEPSQQH-SECBINFHSA-N
XLogP3.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1293750
ethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 4248539
4-ethyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]thiophene-3-carboxamide
CID 17168960
2-(3-chlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2933213
2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 2930937
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
(6S)-2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1011291
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
ethyl 2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 1191013
(6S)-6-tert-butyl-2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2283929
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide (CID 1370889) is 2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide is CCc1c(C)sc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1C(N)=O.
What is the InChIKey of 2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The InChIKey is TUIYUVANEPSQQH-SECBINFHSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-4-13-10(3)24-17(14(13)15(19)21)20-16(22)9(2)23-12-7-5-6-11(18)8-12/h5-9H,4H2,1-3H3,(H2,19,21)(H,20,22)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1370889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).