N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C18H15BrN2O3S2 — CID 38613730

IUPACN-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)NCCSc2ccc(Br)cc2)s1)c1ccco1
InChIInChI=1S/C18H15BrN2O3S2/c19-12-3-5-13(6-4-12)25-11-9-20-18(23)15-7-8-16(26-15)21-17(22)14-2-1-10-24-14/h1-8,10H,9,11H2,(H,20,23)(H,21,22)
InChIKeyGTFUSFOTLZXKON-UHFFFAOYSA-N
MW451.37 g/mol
LogP4.88
Rot. Bonds7

About N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 38613730) has the molecular formula C18H15BrN2O3S2 and a molecular weight of 451.37 g/mol. Its IUPAC name is N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID38613730
Molecular FormulaC18H15BrN2O3S2
Molecular Weight451.37 g/mol
Exact Mass449.97
IUPAC NameN-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)NCCSc2ccc(Br)cc2)s1)c1ccco1
InChIInChI=1S/C18H15BrN2O3S2/c19-12-3-5-13(6-4-12)25-11-9-20-18(23)15-7-8-16(26-15)21-17(22)14-2-1-10-24-14/h1-8,10H,9,11H2,(H,20,23)(H,21,22)
InChIKeyGTFUSFOTLZXKON-UHFFFAOYSA-N
XLogP4.88
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]furan-2-carboxamide
CID 18159774
N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31303145
N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 134024197
N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60553481
N-[5-[(2-hydroxycyclopentyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 111471137
N-[5-[2-(1H-indol-3-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302572
N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 94049859
N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984
N-[3-[2-(4-chlorophenyl)sulfanylethylamino]-3-oxopropyl]furan-2-carboxamide
CID 17407014
N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55516916
N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55512143

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 38613730) is N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)NCCSc2ccc(Br)cc2)s1)c1ccco1.
What is the InChIKey of N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is GTFUSFOTLZXKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S2/c19-12-3-5-13(6-4-12)25-11-9-20-18(23)15-7-8-16(26-15)21-17(22)14-2-1-10-24-14/h1-8,10H,9,11H2,(H,20,23)(H,21,22).
What are the key properties of N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 451.37 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 38613730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).