N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide

C10H14INOS — CID 131019852

IUPACN-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide
SMILESCN(C(=O)c1csc(I)c1)C(C)(C)C
InChIInChI=1S/C10H14INOS/c1-10(2,3)12(4)9(13)7-5-8(11)14-6-7/h5-6H,1-4H3
InChIKeyXNSVZHCTWMTSOO-UHFFFAOYSA-N
MW323.20 g/mol
LogP3.22
Rot. Bonds1

About N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide

N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide (PubChem CID 131019852) has the molecular formula C10H14INOS and a molecular weight of 323.20 g/mol. Its IUPAC name is N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide
PubChem CID131019852
Molecular FormulaC10H14INOS
Molecular Weight323.20 g/mol
Exact Mass322.98
IUPAC NameN-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide
SMILESCN(C(=O)c1csc(I)c1)C(C)(C)C
InChIInChI=1S/C10H14INOS/c1-10(2,3)12(4)9(13)7-5-8(11)14-6-7/h5-6H,1-4H3
InChIKeyXNSVZHCTWMTSOO-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79601816
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79692778
N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 81482711
N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
CID 104556113
N-(3-amino-3-sulfanylidenepropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79694120
N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948757
5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119441879
N-[[4-(dimethylamino)phenyl]methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949482
5-iodo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948563
2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid
CID 79685739
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide?
The IUPAC name of N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide (CID 131019852) is N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide is CN(C(=O)c1csc(I)c1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide?
The InChIKey is XNSVZHCTWMTSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INOS/c1-10(2,3)12(4)9(13)7-5-8(11)14-6-7/h5-6H,1-4H3.
What are the key properties of N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide?
N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide has a molecular weight of 323.20 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 131019852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).