N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide

C11H16INOS2 — CID 115662170

IUPACN-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide
SMILESCCSCCC(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C11H16INOS2/c1-3-15-5-4-8(2)13-11(14)9-6-10(12)16-7-9/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyRUEGAHIGJGNDOX-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.61
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide

N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide (PubChem CID 115662170) has the molecular formula C11H16INOS2 and a molecular weight of 369.29 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide
PubChem CID115662170
Molecular FormulaC11H16INOS2
Molecular Weight369.29 g/mol
Exact Mass368.97
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide
SMILESCCSCCC(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C11H16INOS2/c1-3-15-5-4-8(2)13-11(14)9-6-10(12)16-7-9/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyRUEGAHIGJGNDOX-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
CID 78948996
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
CID 104854913
5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 79692763
5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide
CID 79692781
N-(4-ethylsulfanylbutan-2-yl)-3,4,5-trifluorobenzamide
CID 113245328
4-(4-ethylsulfanylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 115730415
5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide
CID 78948643
N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide
CID 106354884
5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide
CID 78948571
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 78950186
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 79684876

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide (CID 115662170) is N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide is CCSCCC(C)NC(=O)c1csc(I)c1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is RUEGAHIGJGNDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INOS2/c1-3-15-5-4-8(2)13-11(14)9-6-10(12)16-7-9/h6-8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide?
N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 369.29 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 115662170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).