3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid

C13H18N2O6S2 — CID 119221163

IUPAC3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O6S2/c1-9(8-11(16)17)14-13(18)12-10(2-7-22-12)23(19,20)15-3-5-21-6-4-15/h2,7,9H,3-6,8H2,1H3,(H,14,18)(H,16,17)
InChIKeyGQNLYLAIBYUAOJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.36
Rot. Bonds6

About 3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid

3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid (PubChem CID 119221163) has the molecular formula C13H18N2O6S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
PubChem CID119221163
Molecular FormulaC13H18N2O6S2
Molecular Weight362.43 g/mol
Exact Mass362.06
IUPAC Name3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O6S2/c1-9(8-11(16)17)14-13(18)12-10(2-7-22-12)23(19,20)15-3-5-21-6-4-15/h2,7,9H,3-6,8H2,1H3,(H,14,18)(H,16,17)
InChIKeyGQNLYLAIBYUAOJ-UHFFFAOYSA-N
XLogP0.36
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60618882
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55456444
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 119249833
3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 25391714
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 120945933
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55510466
N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 38075450
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 60618643
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612

Frequently Asked Questions

What is the IUPAC name of 3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid (CID 119221163) is 3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid?
The InChIKey is GQNLYLAIBYUAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6S2/c1-9(8-11(16)17)14-13(18)12-10(2-7-22-12)23(19,20)15-3-5-21-6-4-15/h2,7,9H,3-6,8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid?
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid has a molecular weight of 362.43 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119221163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).