N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide

C10H14BrNOS — CID 80666303

IUPACN-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CCBr)C(=O)c1cccs1
InChIInChI=1S/C10H14BrNOS/c1-8(2)12(6-5-11)10(13)9-4-3-7-14-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRBYBKRXAORYTIV-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.99
Rot. Bonds4

About N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide

N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 80666303) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID80666303
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC NameN-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CCBr)C(=O)c1cccs1
InChIInChI=1S/C10H14BrNOS/c1-8(2)12(6-5-11)10(13)9-4-3-7-14-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRBYBKRXAORYTIV-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
CID 54896878
N-propan-2-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61036038
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675
[4-chloro-2-[[propan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] methanesulfonate
CID 42812110
N,N-diethylthiophene-2-carboxamide
CID 962897
N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene
CID 144888104
4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 43792913
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 80666299
N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide
CID 80665677
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 83280374
CID 69259223
CID 69259223
2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid
CID 82324463

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide (CID 80666303) is N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(CCBr)C(=O)c1cccs1.
What is the InChIKey of N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is RBYBKRXAORYTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-8(2)12(6-5-11)10(13)9-4-3-7-14-9/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide?
N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 276.20 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 80666303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).