N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide

C24H24IN3O4S — CID 22707338

IUPACN-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide
SMILESCc1cc(I)ccc1Nc1cc(S(=O)(=O)Nc2ccccc2)ccc1C(=O)NOCC1CC1
InChIInChI=1S/C24H24IN3O4S/c1-16-13-18(25)9-12-22(16)26-23-14-20(33(30,31)28-19-5-3-2-4-6-19)10-11-21(23)24(29)27-32-15-17-7-8-17/h2-6,9-14,17,26,28H,7-8,15H2,1H3,(H,27,29)
InChIKeyWRYKMKCFZMIDPN-UHFFFAOYSA-N
MW577.44 g/mol
LogP5.22
Rot. Bonds9

About N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide

N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide (PubChem CID 22707338) has the molecular formula C24H24IN3O4S and a molecular weight of 577.44 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide
PubChem CID22707338
Molecular FormulaC24H24IN3O4S
Molecular Weight577.44 g/mol
Exact Mass577.05
IUPAC NameN-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide
SMILESCc1cc(I)ccc1Nc1cc(S(=O)(=O)Nc2ccccc2)ccc1C(=O)NOCC1CC1
InChIInChI=1S/C24H24IN3O4S/c1-16-13-18(25)9-12-22(16)26-23-14-20(33(30,31)28-19-5-3-2-4-6-19)10-11-21(23)24(29)27-32-15-17-7-8-17/h2-6,9-14,17,26,28H,7-8,15H2,1H3,(H,27,29)
InChIKeyWRYKMKCFZMIDPN-UHFFFAOYSA-N
XLogP5.22
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.44
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethoxy)-3,4-difluoro-2-(4-iodo-2-methylanilino)-5-(phenylsulfamoyl)benzamide
CID 22707220
N-(cyclopropylmethoxy)-4-[(3-hydroxy-1-pyridin-4-ylpropyl)sulfamoyl]-2-(4-iodo-2-methylanilino)benzamide
CID 87966158
N-(cyclopropylmethoxy)-4-fluoro-2-(4-iodo-2-methylanilino)-5-pyrrol-1-ylbenzamide
CID 139878864
N-(cyclopropylmethoxy)-4-fluoro-2-(4-iodo-2-methylanilino)-5-pyrazol-1-ylbenzamide
CID 139878974
5-[(4-iodo-2-methylphenyl)sulfamoyl]-2-(oxan-4-ylmethoxy)benzoic acid
CID 135308317
N-(cyclopropylmethoxy)-3,4-difluoro-5-[(4-hydroxy-1-pyridin-2-ylbutyl)sulfamoyl]-2-(4-iodo-2-methylanilino)benzamide
CID 87966464
methyl 2-[6-(cyclopropylmethoxycarbamoyl)-4-fluoro-5-(4-iodo-2-methylanilino)benzimidazol-1-yl]acetate
CID 11478420
4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286611
5-chloro-N-(cyclopropylmethoxy)-2-(4-iodoanilino)-4-pyrrol-1-ylbenzamide
CID 139878859
2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-5-fluoro-4-pyrrol-1-ylbenzamide
CID 139878765
5-bromo-N-(cyclopropylmethoxy)-2-(4-iodoanilino)-4-pyrrol-1-ylbenzamide
CID 139878902
N-(cyclopropylmethoxy)-7-fluoro-3-(3-hydroxypropyl)-6-(4-iodo-2-methylanilino)benzimidazole-5-carboxamide
CID 58781123

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide (CID 22707338) is N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide is Cc1cc(I)ccc1Nc1cc(S(=O)(=O)Nc2ccccc2)ccc1C(=O)NOCC1CC1.
What is the InChIKey of N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide?
The InChIKey is WRYKMKCFZMIDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24IN3O4S/c1-16-13-18(25)9-12-22(16)26-23-14-20(33(30,31)28-19-5-3-2-4-6-19)10-11-21(23)24(29)27-32-15-17-7-8-17/h2-6,9-14,17,26,28H,7-8,15H2,1H3,(H,27,29).
What are the key properties of N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide?
N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide has a molecular weight of 577.44 g/mol, XLogP of 5.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 22707338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).