N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide

C15H15BrN2O3S — CID 18159774

IUPACN-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCCSc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O3S/c16-11-3-5-12(6-4-11)22-9-7-17-14(19)10-18-15(20)13-2-1-8-21-13/h1-6,8H,7,9-10H2,(H,17,19)(H,18,20)
InChIKeyBQTHGQHGNYFNFB-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.68
Rot. Bonds7

About N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 18159774) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID18159774
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC NameN-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCCSc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O3S/c16-11-3-5-12(6-4-11)22-9-7-17-14(19)10-18-15(20)13-2-1-8-21-13/h1-6,8H,7,9-10H2,(H,17,19)(H,18,20)
InChIKeyBQTHGQHGNYFNFB-UHFFFAOYSA-N
XLogP2.68
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.68
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

N-[3-[2-(4-chlorophenyl)sulfanylethylamino]-3-oxopropyl]furan-2-carboxamide
CID 17407014
N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 38613730
N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
CID 34445616
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355
N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide
CID 34266144
7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid
CID 43358988
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080036
tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537102
N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide
CID 33191879
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365
N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 103711886

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide (CID 18159774) is N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NCCSc1ccc(Br)cc1.
What is the InChIKey of N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is BQTHGQHGNYFNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c16-11-3-5-12(6-4-11)22-9-7-17-14(19)10-18-15(20)13-2-1-8-21-13/h1-6,8H,7,9-10H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 383.27 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 18159774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).