N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide

C14H22BrNOS — CID 54983912

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide
SMILESCCCCC(CC)C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C14H22BrNOS/c1-4-6-7-12(5-2)14(17)16(3)9-11-8-13(15)18-10-11/h8,10,12H,4-7,9H2,1-3H3
InChIKeyCLYSABRJUZFRRD-UHFFFAOYSA-N
MW332.31 g/mol
LogP4.69
Rot. Bonds7

About N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide

N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide (PubChem CID 54983912) has the molecular formula C14H22BrNOS and a molecular weight of 332.31 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide
PubChem CID54983912
Molecular FormulaC14H22BrNOS
Molecular Weight332.31 g/mol
Exact Mass331.06
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide
SMILESCCCCC(CC)C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C14H22BrNOS/c1-4-6-7-12(5-2)14(17)16(3)9-11-8-13(15)18-10-11/h8,10,12H,4-7,9H2,1-3H3
InChIKeyCLYSABRJUZFRRD-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
CID 61394474
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-methylbutanamide
CID 61394592
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
2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81089179
2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76909957
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide
CID 62899718
N-[(5-bromothiophen-3-yl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616948
1-[(5-bromothiophen-3-yl)methyl-methylamino]butan-2-one
CID 62039108

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide (CID 54983912) is N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide is CCCCC(CC)C(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide?
The InChIKey is CLYSABRJUZFRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNOS/c1-4-6-7-12(5-2)14(17)16(3)9-11-8-13(15)18-10-11/h8,10,12H,4-7,9H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide?
N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide has a molecular weight of 332.31 g/mol, XLogP of 4.69, 7 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]-2-ethyl-N-methylhexanamide is sourced from PubChem (CID 54983912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).