2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide

C18H29N5O3S — CID 18286430

IUPAC2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
SMILESCC(C)CNC(=O)CN1CCN(C(C)C(=O)Nc2sccc2C(N)=O)CC1
InChIInChI=1S/C18H29N5O3S/c1-12(2)10-20-15(24)11-22-5-7-23(8-6-22)13(3)17(26)21-18-14(16(19)25)4-9-27-18/h4,9,12-13H,5-8,10-11H2,1-3H3,(H2,19,25)(H,20,24)(H,21,26)
InChIKeyCJIYGWPLBWOTLT-UHFFFAOYSA-N
MW395.53 g/mol
LogP0.56
Rot. Bonds8

About 2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide

2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide (PubChem CID 18286430) has the molecular formula C18H29N5O3S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
PubChem CID18286430
Molecular FormulaC18H29N5O3S
Molecular Weight395.53 g/mol
Exact Mass395.20
IUPAC Name2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
SMILESCC(C)CNC(=O)CN1CCN(C(C)C(=O)Nc2sccc2C(N)=O)CC1
InChIInChI=1S/C18H29N5O3S/c1-12(2)10-20-15(24)11-22-5-7-23(8-6-22)13(3)17(26)21-18-14(16(19)25)4-9-27-18/h4,9,12-13H,5-8,10-11H2,1-3H3,(H2,19,25)(H,20,24)(H,21,26)
InChIKeyCJIYGWPLBWOTLT-UHFFFAOYSA-N
XLogP0.56
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide
CID 9249663
2-[2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46632147
2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 40820681
2-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 75464153
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46558698
2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 24674627
1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 25479932
2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9430946
2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9459404
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 42926214
2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 9362622

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide (CID 18286430) is 2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide is CC(C)CNC(=O)CN1CCN(C(C)C(=O)Nc2sccc2C(N)=O)CC1.
What is the InChIKey of 2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide?
The InChIKey is CJIYGWPLBWOTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3S/c1-12(2)10-20-15(24)11-22-5-7-23(8-6-22)13(3)17(26)21-18-14(16(19)25)4-9-27-18/h4,9,12-13H,5-8,10-11H2,1-3H3,(H2,19,25)(H,20,24)(H,21,26).
What are the key properties of 2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide?
2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 18286430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).