N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

C16H12BrN3O5S2 — CID 4802460

IUPACN-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(NNC(=O)c1ccc(Br)o1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C16H12BrN3O5S2/c17-13-8-7-12(25-13)16(22)19-18-15(21)10-3-5-11(6-4-10)20-27(23,24)14-2-1-9-26-14/h1-9,20H,(H,18,21)(H,19,22)
InChIKeyRWBMAMCJAXMPKO-UHFFFAOYSA-N
MW470.33 g/mol
LogP2.98
Rot. Bonds5

About N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 4802460) has the molecular formula C16H12BrN3O5S2 and a molecular weight of 470.33 g/mol. Its IUPAC name is N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID4802460
Molecular FormulaC16H12BrN3O5S2
Molecular Weight470.33 g/mol
Exact Mass468.94
IUPAC NameN-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(NNC(=O)c1ccc(Br)o1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C16H12BrN3O5S2/c17-13-8-7-12(25-13)16(22)19-18-15(21)10-3-5-11(6-4-10)20-27(23,24)14-2-1-9-26-14/h1-9,20H,(H,18,21)(H,19,22)
InChIKeyRWBMAMCJAXMPKO-UHFFFAOYSA-N
XLogP2.98
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(2-bromo-5-methoxybenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 24982596
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-[4-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 2082661
N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 26872757
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 135745545
N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6390874
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
N-[4-(1,3-thiazol-2-yl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24648839
N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55954536
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24680132

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (CID 4802460) is N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is O=C(NNC(=O)c1ccc(Br)o1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is RWBMAMCJAXMPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O5S2/c17-13-8-7-12(25-13)16(22)19-18-15(21)10-3-5-11(6-4-10)20-27(23,24)14-2-1-9-26-14/h1-9,20H,(H,18,21)(H,19,22).
What are the key properties of N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 470.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4802460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).