2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide

C15H16N2O3S2 — CID 27971673

IUPAC2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
SMILESCOc1ccc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C15H16N2O3S2/c1-9(22-11-5-3-10(20-2)4-6-11)14(19)17-15-12(13(16)18)7-8-21-15/h3-9H,1-2H3,(H2,16,18)(H,17,19)/t9-/m1/s1
InChIKeyNBQOORMLWSAYDQ-SECBINFHSA-N
MW336.44 g/mol
LogP2.97
Rot. Bonds6

About 2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide

2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide (PubChem CID 27971673) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
PubChem CID27971673
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
SMILESCOc1ccc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C15H16N2O3S2/c1-9(22-11-5-3-10(20-2)4-6-11)14(19)17-15-12(13(16)18)7-8-21-15/h3-9H,1-2H3,(H2,16,18)(H,17,19)/t9-/m1/s1
InChIKeyNBQOORMLWSAYDQ-SECBINFHSA-N
XLogP2.97
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 96532922
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide
CID 18091072
2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8940061
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate
CID 55546376
2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
CID 41321505
(2R)-2-(4-methoxyphenyl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 26028746
ethyl 4-amino-2-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 25332239
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-methoxybenzoate
CID 41259825
2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide
CID 7346644
2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide
CID 8886770

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide (CID 27971673) is 2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide is COc1ccc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of 2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide?
The InChIKey is NBQOORMLWSAYDQ-SECBINFHSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-9(22-11-5-3-10(20-2)4-6-11)14(19)17-15-12(13(16)18)7-8-21-15/h3-9H,1-2H3,(H2,16,18)(H,17,19)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide?
2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 27971673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).