4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol

C20H38N4O4S — CID 145088373

IUPAC4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol
SMILESCC.CCC(=O)C(CCN)NC(=O)CNC(=O)C(CCN)c1cccs1.CCO
InChIInChI=1S/C16H26N4O3S.C2H6O.C2H6/c1-2-13(21)12(6-8-18)20-15(22)10-19-16(23)11(5-7-17)14-4-3-9-24-14;1-2-3;1-2/h3-4,9,11-12H,2,5-8,10,17-18H2,1H3,(H,19,23)(H,20,22);3H,2H2,1H3;1-2H3
InChIKeyCLWQUFXUZRLFQK-UHFFFAOYSA-N
MW430.62 g/mol
LogP1.13
Rot. Bonds11

About 4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol

4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol (PubChem CID 145088373) has the molecular formula C20H38N4O4S and a molecular weight of 430.62 g/mol. Its IUPAC name is 4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol.

Molecular Properties

Compound Name4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol
PubChem CID145088373
Molecular FormulaC20H38N4O4S
Molecular Weight430.62 g/mol
Exact Mass430.26
IUPAC Name4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol
SMILESCC.CCC(=O)C(CCN)NC(=O)CNC(=O)C(CCN)c1cccs1.CCO
InChIInChI=1S/C16H26N4O3S.C2H6O.C2H6/c1-2-13(21)12(6-8-18)20-15(22)10-19-16(23)11(5-7-17)14-4-3-9-24-14;1-2-3;1-2/h3-4,9,11-12H,2,5-8,10,17-18H2,1H3,(H,19,23)(H,20,22);3H,2H2,1H3;1-2H3
InChIKeyCLWQUFXUZRLFQK-UHFFFAOYSA-N
XLogP1.13
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 51.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-amino-3-methyl-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]butanamide
CID 82961932
5-amino-2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 104685412
4-oxo-4-(propylamino)-3-thiophen-2-ylbutanoic acid
CID 112515750
2-thiophen-2-ylhexanehydrazide
CID 174523282
5-amino-2-methyl-N-(1-thiophen-2-ylbutyl)pentanamide
CID 104684884
3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide
CID 167133850
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-2-thiophen-2-ylacetic acid
CID 82964540
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide
CID 177167267
3-methyl-4-thiophen-2-ylpentan-1-amine
CID 83934757
3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
3-[(5-amino-2-methylpentanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 104684115

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol?
The IUPAC name of 4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol (CID 145088373) is 4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol.
What is the SMILES notation for 4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol?
The canonical SMILES for 4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol is CC.CCC(=O)C(CCN)NC(=O)CNC(=O)C(CCN)c1cccs1.CCO.
What is the InChIKey of 4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol?
The InChIKey is CLWQUFXUZRLFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S.C2H6O.C2H6/c1-2-13(21)12(6-8-18)20-15(22)10-19-16(23)11(5-7-17)14-4-3-9-24-14;1-2-3;1-2/h3-4,9,11-12H,2,5-8,10,17-18H2,1H3,(H,19,23)(H,20,22);3H,2H2,1H3;1-2H3.
What are the key properties of 4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol?
4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol has a molecular weight of 430.62 g/mol, XLogP of 1.13, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylbutanamide;ethane;ethanol is sourced from PubChem (CID 145088373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).