4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide

C11H15BrN2O3S2 — CID 112732422

IUPAC4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
SMILESO=C(CCCNS(=O)(=O)c1sccc1Br)NC1CC1
InChIInChI=1S/C11H15BrN2O3S2/c12-9-5-7-18-11(9)19(16,17)13-6-1-2-10(15)14-8-3-4-8/h5,7-8,13H,1-4,6H2,(H,14,15)
InChIKeyUZMWQVASHMDIJL-UHFFFAOYSA-N
MW367.29 g/mol
LogP1.85
Rot. Bonds7

About 4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide

4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide (PubChem CID 112732422) has the molecular formula C11H15BrN2O3S2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
PubChem CID112732422
Molecular FormulaC11H15BrN2O3S2
Molecular Weight367.29 g/mol
Exact Mass365.97
IUPAC Name4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
SMILESO=C(CCCNS(=O)(=O)c1sccc1Br)NC1CC1
InChIInChI=1S/C11H15BrN2O3S2/c12-9-5-7-18-11(9)19(16,17)13-6-1-2-10(15)14-8-3-4-8/h5,7-8,13H,1-4,6H2,(H,14,15)
InChIKeyUZMWQVASHMDIJL-UHFFFAOYSA-N
XLogP1.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 115329624
3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide
CID 61072375
2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61074023
4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 116528718
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide
CID 106304866
N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide
CID 79395251
4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727913
3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide
CID 103858901
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79380052
4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79376745
N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide
CID 78996204

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide (CID 112732422) is 4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide is O=C(CCCNS(=O)(=O)c1sccc1Br)NC1CC1.
What is the InChIKey of 4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide?
The InChIKey is UZMWQVASHMDIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S2/c12-9-5-7-18-11(9)19(16,17)13-6-1-2-10(15)14-8-3-4-8/h5,7-8,13H,1-4,6H2,(H,14,15).
What are the key properties of 4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide?
4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide has a molecular weight of 367.29 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide is sourced from PubChem (CID 112732422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).