4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide

C17H20N2O3S — CID 7378277

IUPAC4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide
SMILESCc1ccccc1O[C@H](C)C(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C17H20N2O3S/c1-9-7-5-6-8-13(9)22-11(3)16(21)19-17-14(15(18)20)10(2)12(4)23-17/h5-8,11H,1-4H3,(H2,18,20)(H,19,21)/t11-/m1/s1
InChIKeyOHHBOPBXWXBBHS-LLVKDONJSA-N
MW332.43 g/mol
LogP3.18
Rot. Bonds5

About 4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide

4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide (PubChem CID 7378277) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide
PubChem CID7378277
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide
SMILESCc1ccccc1O[C@H](C)C(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C17H20N2O3S/c1-9-7-5-6-8-13(9)22-11(3)16(21)19-17-14(15(18)20)10(2)12(4)23-17/h5-8,11H,1-4H3,(H2,18,20)(H,19,21)/t11-/m1/s1
InChIKeyOHHBOPBXWXBBHS-LLVKDONJSA-N
XLogP3.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 7425464
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
methyl 2-[2-(2-methylphenoxy)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4931539
ethyl 5-acetyl-2-[[(2R)-2-(2-methoxyphenoxy)propanoyl]amino]-4-methylthiophene-3-carboxylate
CID 1330443
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide
CID 4951886
2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56502350
ethyl 5-carbamoyl-2-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-4-methylthiophene-3-carboxylate
CID 1294689

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide (CID 7378277) is 4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide is Cc1ccccc1O[C@H](C)C(=O)Nc1sc(C)c(C)c1C(N)=O.
What is the InChIKey of 4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is OHHBOPBXWXBBHS-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-9-7-5-6-8-13(9)22-11(3)16(21)19-17-14(15(18)20)10(2)12(4)23-17/h5-8,11H,1-4H3,(H2,18,20)(H,19,21)/t11-/m1/s1.
What are the key properties of 4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide?
4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 7378277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).