4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid

C16H15Cl2NO3S — CID 120547272

IUPAC4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H15Cl2NO3S/c17-13-9-12(15(18)23-13)16(22)19-11(6-7-14(20)21)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,19,22)(H,20,21)
InChIKeyQSMWIFCAGOFNAB-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.26
Rot. Bonds7

About 4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid

4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 120547272) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is 4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID120547272
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC Name4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H15Cl2NO3S/c17-13-9-12(15(18)23-13)16(22)19-11(6-7-14(20)21)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,19,22)(H,20,21)
InChIKeyQSMWIFCAGOFNAB-UHFFFAOYSA-N
XLogP4.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid
CID 120546954
4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid
CID 120547076
4-[3-(5-chlorothiophen-2-yl)propanoylamino]-5-phenylpentanoic acid
CID 120546600
2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(5-chlorothiophen-2-yl)methylamino]-5-phenylpentanoic acid
CID 120511860
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
4-[3-(4-chlorothiophen-2-yl)propanoylamino]-5-phenylpentanoic acid
CID 120546620
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid (CID 120547272) is 4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is QSMWIFCAGOFNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c17-13-9-12(15(18)23-13)16(22)19-11(6-7-14(20)21)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,19,22)(H,20,21).
What are the key properties of 4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid?
4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 372.27 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120547272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).