2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide

C18H24N2O2S2 — CID 8514010

IUPAC2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@H](SC12CC3CC(CC(C3)C1)C2)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C18H24N2O2S2/c1-10(16(22)20-17-14(15(19)21)2-3-23-17)24-18-7-11-4-12(8-18)6-13(5-11)9-18/h2-3,10-13H,4-9H2,1H3,(H2,19,21)(H,20,22)/t10-,11?,12?,13?,18?/m0/s1
InChIKeyZVUPTZGLMHBPNA-DJCSNXPJSA-N
MW364.54 g/mol
LogP3.88
Rot. Bonds5

About 2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide

2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide (PubChem CID 8514010) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
PubChem CID8514010
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC Name2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@H](SC12CC3CC(CC(C3)C1)C2)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C18H24N2O2S2/c1-10(16(22)20-17-14(15(19)21)2-3-23-17)24-18-7-11-4-12(8-18)6-13(5-11)9-18/h2-3,10-13H,4-9H2,1H3,(H2,19,21)(H,20,22)/t10-,11?,12?,13?,18?/m0/s1
InChIKeyZVUPTZGLMHBPNA-DJCSNXPJSA-N
XLogP3.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9430946
(2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 8513195
2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 27971673
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
(2S)-2-(1-adamantylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8513385
2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9444116
2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide
CID 9249663
2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 18141467
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide
CID 55177786
2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8940061
benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium
CID 9445948

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide (CID 8514010) is 2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide is C[C@H](SC12CC3CC(CC(C3)C1)C2)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is ZVUPTZGLMHBPNA-DJCSNXPJSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-10(16(22)20-17-14(15(19)21)2-3-23-17)24-18-7-11-4-12(8-18)6-13(5-11)9-18/h2-3,10-13H,4-9H2,1H3,(H2,19,21)(H,20,22)/t10-,11?,12?,13?,18?/m0/s1.
What are the key properties of 2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide?
2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 364.54 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 8514010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).