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

C12H19BrN2OS — CID 62839107

IUPACN-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
SMILESCCNCC(C)C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C12H19BrN2OS/c1-4-14-6-9(2)12(16)15(3)7-10-5-11(13)17-8-10/h5,8-9,14H,4,6-7H2,1-3H3
InChIKeyXJYPNYMBOBBKJF-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.71
Rot. Bonds6

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

N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide (PubChem CID 62839107) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
PubChem CID62839107
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
SMILESCCNCC(C)C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C12H19BrN2OS/c1-4-14-6-9(2)12(16)15(3)7-10-5-11(13)17-8-10/h5,8-9,14H,4,6-7H2,1-3H3
InChIKeyXJYPNYMBOBBKJF-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119742246
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
CID 61394474
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 55123171
N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide
CID 54983912
N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853098
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81089179
2-[[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]methyl]butanoic acid
CID 65221363
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
CID 103707088
N-[(5-bromothiophen-3-yl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616948
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62461722

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide (CID 62839107) is N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide is CCNCC(C)C(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
The InChIKey is XJYPNYMBOBBKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-4-14-6-9(2)12(16)15(3)7-10-5-11(13)17-8-10/h5,8-9,14H,4,6-7H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide has a molecular weight of 319.27 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide is sourced from PubChem (CID 62839107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).