2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide

C11H17N3O2S — CID 55121254

IUPAC2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide
SMILESCCNC(C)CC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C11H17N3O2S/c1-3-13-7(2)6-9(15)14-11-8(10(12)16)4-5-17-11/h4-5,7,13H,3,6H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyXKPWFKDXGJASLE-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.17
Rot. Bonds6

About 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide

2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide (PubChem CID 55121254) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide
PubChem CID55121254
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide
SMILESCCNC(C)CC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C11H17N3O2S/c1-3-13-7(2)6-9(15)14-11-8(10(12)16)4-5-17-11/h4-5,7,13H,3,6H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyXKPWFKDXGJASLE-UHFFFAOYSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate
CID 62838371
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43467104
2-(ethylamino)thiophene-3-carboxamide
CID 63089344
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate
CID 60660981
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
2-[[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9028907
2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
2-(4-chlorobutanoylamino)thiophene-3-carboxamide
CID 63309353
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054
2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9133741

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide (CID 55121254) is 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide is CCNC(C)CC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide?
The InChIKey is XKPWFKDXGJASLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-13-7(2)6-9(15)14-11-8(10(12)16)4-5-17-11/h4-5,7,13H,3,6H2,1-2H3,(H2,12,16)(H,14,15).
What are the key properties of 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide?
2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 55121254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).