N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide

C11H16BrNOS — CID 61394474

IUPACN-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C11H16BrNOS/c1-4-8(2)11(14)13(3)6-9-5-10(12)15-7-9/h5,7-8H,4,6H2,1-3H3
InChIKeyKENHBHDQZULHBW-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.52
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide

N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide (PubChem CID 61394474) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
PubChem CID61394474
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C11H16BrNOS/c1-4-8(2)11(14)13(3)6-9-5-10(12)15-7-9/h5,7-8H,4,6H2,1-3H3
InChIKeyKENHBHDQZULHBW-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62839107
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119742246
N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide
CID 54983912
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81089179
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide
CID 62899718
2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76909957
2-[[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]methyl]butanoic acid
CID 65221363
N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide
CID 65426149
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide
CID 78971404
N-[(5-bromothiophen-3-yl)methyl]-N-methylazepane-1-carboxamide
CID 79152022

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide (CID 61394474) is N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide is CCC(C)C(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide?
The InChIKey is KENHBHDQZULHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-4-8(2)11(14)13(3)6-9-5-10(12)15-7-9/h5,7-8H,4,6H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide?
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide has a molecular weight of 290.23 g/mol, XLogP of 3.52, 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,2-dimethylbutanamide is sourced from PubChem (CID 61394474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).