N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide

C18H15IN2O3S2 — CID 169144914

IUPACN-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(I)cc(NC(=O)c2cc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H15IN2O3S2/c1-26(23,24)21-16-9-14(19)8-15(10-16)20-18(22)17-7-13(11-25-17)12-5-3-2-4-6-12/h2-11,21H,1H3,(H,20,22)
InChIKeyTXMRYJBUNSQREL-UHFFFAOYSA-N
MW498.37 g/mol
LogP4.64
Rot. Bonds5

About N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide

N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide (PubChem CID 169144914) has the molecular formula C18H15IN2O3S2 and a molecular weight of 498.37 g/mol. Its IUPAC name is N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
PubChem CID169144914
Molecular FormulaC18H15IN2O3S2
Molecular Weight498.37 g/mol
Exact Mass497.96
IUPAC NameN-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(I)cc(NC(=O)c2cc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H15IN2O3S2/c1-26(23,24)21-16-9-14(19)8-15(10-16)20-18(22)17-7-13(11-25-17)12-5-3-2-4-6-12/h2-11,21H,1H3,(H,20,22)
InChIKeyTXMRYJBUNSQREL-UHFFFAOYSA-N
XLogP4.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
CID 169152227
N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide
CID 174102870
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide
CID 49034810
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 24568455
N-[4-[3,5-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide
CID 89237722
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide
CID 169144958
N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide
CID 89238001
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 169144861
CID 23176875
CID 23176875

Frequently Asked Questions

What is the IUPAC name of N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide (CID 169144914) is N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide is CS(=O)(=O)Nc1cc(I)cc(NC(=O)c2cc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide?
The InChIKey is TXMRYJBUNSQREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2O3S2/c1-26(23,24)21-16-9-14(19)8-15(10-16)20-18(22)17-7-13(11-25-17)12-5-3-2-4-6-12/h2-11,21H,1H3,(H,20,22).
What are the key properties of N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide?
N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide has a molecular weight of 498.37 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 169144914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).