N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide

C10H14BrNOS — CID 61394592

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C10H14BrNOS/c1-3-4-10(13)12(2)6-8-5-9(11)14-7-8/h5,7H,3-4,6H2,1-2H3
InChIKeyJRRWSNKPVXOFKW-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.27
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide

N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide (PubChem CID 61394592) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
PubChem CID61394592
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C10H14BrNOS/c1-3-4-10(13)12(2)6-8-5-9(11)14-7-8/h5,7H,3-4,6H2,1-2H3
InChIKeyJRRWSNKPVXOFKW-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide
CID 65426149
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide
CID 62367265
4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide
CID 63323822
3-(3-aminophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpropanamide
CID 80700446
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
CID 61394474
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107025972
N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
CID 103707088
N-[(5-bromothiophen-3-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 61394516
N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 86839463
N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide
CID 54983912
2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide
CID 62899718

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide (CID 61394592) is N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide is CCCC(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide?
The InChIKey is JRRWSNKPVXOFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-3-4-10(13)12(2)6-8-5-9(11)14-7-8/h5,7H,3-4,6H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide has a molecular weight of 276.20 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide is sourced from PubChem (CID 61394592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).