N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide

C9H11BrINOS — CID 104556113

IUPACN-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
SMILESCC(CBr)N(C)C(=O)c1csc(I)c1
InChIInChI=1S/C9H11BrINOS/c1-6(4-10)12(2)9(13)7-3-8(11)14-5-7/h3,5-6H,4H2,1-2H3
InChIKeyYUEIZBFYKRUDLB-UHFFFAOYSA-N
MW388.07 g/mol
LogP3.21
Rot. Bonds3

About N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide

N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide (PubChem CID 104556113) has the molecular formula C9H11BrINOS and a molecular weight of 388.07 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
PubChem CID104556113
Molecular FormulaC9H11BrINOS
Molecular Weight388.07 g/mol
Exact Mass386.88
IUPAC NameN-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
SMILESCC(CBr)N(C)C(=O)c1csc(I)c1
InChIInChI=1S/C9H11BrINOS/c1-6(4-10)12(2)9(13)7-3-8(11)14-5-7/h3,5-6H,4H2,1-2H3
InChIKeyYUEIZBFYKRUDLB-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.07
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide
CID 104556339
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79693520
2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid
CID 79685739
N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide
CID 131019852
methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate
CID 78950585
N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79601816
N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948757
N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 81482711
5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
CID 78948411
N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79692778
N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 79693867

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide (CID 104556113) is N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide is CC(CBr)N(C)C(=O)c1csc(I)c1.
What is the InChIKey of N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide?
The InChIKey is YUEIZBFYKRUDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrINOS/c1-6(4-10)12(2)9(13)7-3-8(11)14-5-7/h3,5-6H,4H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide?
N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide has a molecular weight of 388.07 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 104556113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).