(2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid

C11H16N2O5S2 — CID 119361365

IUPAC(2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)O
InChIInChI=1S/C11H16N2O5S2/c1-6(2)3-8(11(15)16)13-10(14)7-4-9(19-5-7)20(12,17)18/h4-6,8H,3H2,1-2H3,(H,13,14)(H,15,16)(H2,12,17,18)/t8-/m0/s1
InChIKeyACCMCZMTYVZXDH-QMMMGPOBSA-N
MW320.39 g/mol
LogP0.62
Rot. Bonds6

About (2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid

(2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid (PubChem CID 119361365) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
PubChem CID119361365
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name(2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)O
InChIInChI=1S/C11H16N2O5S2/c1-6(2)3-8(11(15)16)13-10(14)7-4-9(19-5-7)20(12,17)18/h4-6,8H,3H2,1-2H3,(H,13,14)(H,15,16)(H2,12,17,18)/t8-/m0/s1
InChIKeyACCMCZMTYVZXDH-QMMMGPOBSA-N
XLogP0.62
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353273
(2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 119364770
4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate
CID 65382673
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
(2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119361067
N-(1,2-diphenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 51270710
4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
CID 16775253
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 119525543
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid (CID 119361365) is (2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid is CC(C)C[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid?
The InChIKey is ACCMCZMTYVZXDH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-6(2)3-8(11(15)16)13-10(14)7-4-9(19-5-7)20(12,17)18/h4-6,8H,3H2,1-2H3,(H,13,14)(H,15,16)(H2,12,17,18)/t8-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid has a molecular weight of 320.39 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119361365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).