N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide

C12H16INOS — CID 78958436

IUPACN-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1csc(I)c1
InChIInChI=1S/C12H16INOS/c1-2-10(5-8-3-4-8)14-12(15)9-6-11(13)16-7-9/h6-8,10H,2-5H2,1H3,(H,14,15)
InChIKeyUVKVMTABCWPCFW-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.66
Rot. Bonds5

About N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide

N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide (PubChem CID 78958436) has the molecular formula C12H16INOS and a molecular weight of 349.24 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide
PubChem CID78958436
Molecular FormulaC12H16INOS
Molecular Weight349.24 g/mol
Exact Mass349.00
IUPAC NameN-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1csc(I)c1
InChIInChI=1S/C12H16INOS/c1-2-10(5-8-3-4-8)14-12(15)9-6-11(13)16-7-9/h6-8,10H,2-5H2,1H3,(H,14,15)
InChIKeyUVKVMTABCWPCFW-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113385031
4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide
CID 63994420
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide
CID 115648944
5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 79692763
N-(1-cyclopropylbutan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63994419
5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid
CID 104607621
N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
CID 78948345
5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide
CID 78948643
6-amino-N-(1-cyclopropylbutan-2-yl)pyridine-3-carboxamide
CID 63994023
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 79684876
5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
CID 78948996

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide (CID 78958436) is N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide is CCC(CC1CC1)NC(=O)c1csc(I)c1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is UVKVMTABCWPCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INOS/c1-2-10(5-8-3-4-8)14-12(15)9-6-11(13)16-7-9/h6-8,10H,2-5H2,1H3,(H,14,15).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide?
N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 349.24 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78958436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).