N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide

C16H14BrNO2S — CID 121023395

IUPACN-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide
SMILESCC(Cc1csc2ccccc12)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H14BrNO2S/c1-10(18-16(19)13-6-7-15(17)20-13)8-11-9-21-14-5-3-2-4-12(11)14/h2-7,9-10H,8H2,1H3,(H,18,19)
InChIKeyHTENUTLEKYCWEW-UHFFFAOYSA-N
MW364.26 g/mol
LogP4.62
Rot. Bonds4

About N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide (PubChem CID 121023395) has the molecular formula C16H14BrNO2S and a molecular weight of 364.26 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide
PubChem CID121023395
Molecular FormulaC16H14BrNO2S
Molecular Weight364.26 g/mol
Exact Mass362.99
IUPAC NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide
SMILESCC(Cc1csc2ccccc12)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H14BrNO2S/c1-10(18-16(19)13-6-7-15(17)20-13)8-11-9-21-14-5-3-2-4-12(11)14/h2-7,9-10H,8H2,1H3,(H,18,19)
InChIKeyHTENUTLEKYCWEW-UHFFFAOYSA-N
XLogP4.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide
CID 119106138
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
CID 119106153
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
CID 47296501
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide
CID 121023374
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide
CID 121023381
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide
CID 121023406
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
1-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 119106181
1-[(2R)-1-(1-benzothiophen-3-yl)propan-2-yl]-3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 135214090

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide (CID 121023395) is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide is CC(Cc1csc2ccccc12)NC(=O)c1ccc(Br)o1.
What is the InChIKey of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide?
The InChIKey is HTENUTLEKYCWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2S/c1-10(18-16(19)13-6-7-15(17)20-13)8-11-9-21-14-5-3-2-4-12(11)14/h2-7,9-10H,8H2,1H3,(H,18,19).
What are the key properties of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide?
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide has a molecular weight of 364.26 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 121023395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).