2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide

C16H22N4O3S — CID 40820681

IUPAC2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H22N4O3S/c1-10(14(22)18-15-12(13(17)21)4-9-24-15)19-5-7-20(8-6-19)16(23)11-2-3-11/h4,9-11H,2-3,5-8H2,1H3,(H2,17,21)(H,18,22)/t10-/m0/s1
InChIKeyRRHRWARTLODITK-JTQLQIEISA-N
MW350.44 g/mol
LogP0.73
Rot. Bonds5

About 2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide

2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide (PubChem CID 40820681) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide
PubChem CID40820681
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H22N4O3S/c1-10(14(22)18-15-12(13(17)21)4-9-24-15)19-5-7-20(8-6-19)16(23)11-2-3-11/h4,9-11H,2-3,5-8H2,1H3,(H2,17,21)(H,18,22)/t10-/m0/s1
InChIKeyRRHRWARTLODITK-JTQLQIEISA-N
XLogP0.73
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide
CID 9249663
1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 25479932
2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 24674627
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46558698
2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9430946
2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 18286430
2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9459404
2-[2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46632147
2-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 75464153
2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 100836744
2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9249806
2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9444116

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide (CID 40820681) is 2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide is C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is RRHRWARTLODITK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-10(14(22)18-15-12(13(17)21)4-9-24-15)19-5-7-20(8-6-19)16(23)11-2-3-11/h4,9-11H,2-3,5-8H2,1H3,(H2,17,21)(H,18,22)/t10-/m0/s1.
What are the key properties of 2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide?
2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 40820681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).