N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide

C14H15IN2OS — CID 78948667

IUPACN-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide
SMILESCc1cc(N(C)C)ccc1NC(=O)c1csc(I)c1
InChIInChI=1S/C14H15IN2OS/c1-9-6-11(17(2)3)4-5-12(9)16-14(18)10-7-13(15)19-8-10/h4-8H,1-3H3,(H,16,18)
InChIKeyCLASOBUIODWJKJ-UHFFFAOYSA-N
MW386.26 g/mol
LogP3.98
Rot. Bonds3

About N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide

N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide (PubChem CID 78948667) has the molecular formula C14H15IN2OS and a molecular weight of 386.26 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide
PubChem CID78948667
Molecular FormulaC14H15IN2OS
Molecular Weight386.26 g/mol
Exact Mass385.99
IUPAC NameN-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide
SMILESCc1cc(N(C)C)ccc1NC(=O)c1csc(I)c1
InChIInChI=1S/C14H15IN2OS/c1-9-6-11(17(2)3)4-5-12(9)16-14(18)10-7-13(15)19-8-10/h4-8H,1-3H3,(H,16,18)
InChIKeyCLASOBUIODWJKJ-UHFFFAOYSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[(5-iodothiophene-3-carbonyl)amino]-3-methylbenzoic acid
CID 79685348
5-iodo-N-(4-methoxy-2-methylphenyl)thiophene-3-carboxamide
CID 78948835
4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide
CID 43700590
N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide
CID 79692773
3-(dimethylamino)-N-(2,4-dimethylphenyl)benzamide
CID 2081678
5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide
CID 78949082
N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide
CID 78948597
N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide
CID 55709594
N-(2-fluoro-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 78948686
N-(2-amino-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 112557451
N-(2,4-dimethyl-5-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 115618087
N-[4-(dimethylamino)-2-methylphenyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261783

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide (CID 78948667) is N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide is Cc1cc(N(C)C)ccc1NC(=O)c1csc(I)c1.
What is the InChIKey of N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide?
The InChIKey is CLASOBUIODWJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2OS/c1-9-6-11(17(2)3)4-5-12(9)16-14(18)10-7-13(15)19-8-10/h4-8H,1-3H3,(H,16,18).
What are the key properties of N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide?
N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide has a molecular weight of 386.26 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78948667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).