5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide

C9H11BrClNO2S — CID 114298739

IUPAC5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
SMILESCOCC(Cl)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H11BrClNO2S/c1-14-5-6(11)4-12-9(13)7-2-3-8(10)15-7/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeySPPKLHHKVLZDIY-UHFFFAOYSA-N
MW312.62 g/mol
LogP2.49
Rot. Bonds5

About 5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide

5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide (PubChem CID 114298739) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
PubChem CID114298739
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC Name5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
SMILESCOCC(Cl)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H11BrClNO2S/c1-14-5-6(11)4-12-9(13)7-2-3-8(10)15-7/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeySPPKLHHKVLZDIY-UHFFFAOYSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide
CID 114295719
5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 63397906
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298631
5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 114298680
3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167024
N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide
CID 114298911
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide
CID 62666717
5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82010230

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide (CID 114298739) is 5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide is COCC(Cl)CNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide?
The InChIKey is SPPKLHHKVLZDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c1-14-5-6(11)4-12-9(13)7-2-3-8(10)15-7/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide?
5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide has a molecular weight of 312.62 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 114298739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).