4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide

C19H20N4O7S — CID 141488592

IUPAC4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide
SMILESCOCCNc1ccc([N+](=O)[O-])c2[nH]c(C(=O)NS(=O)(=O)c3ccc(OC)cc3)cc12
InChIInChI=1S/C19H20N4O7S/c1-29-10-9-20-15-7-8-17(23(25)26)18-14(15)11-16(21-18)19(24)22-31(27,28)13-5-3-12(30-2)4-6-13/h3-8,11,20-21H,9-10H2,1-2H3,(H,22,24)
InChIKeySELZERQMTVCYKN-UHFFFAOYSA-N
MW448.46 g/mol
LogP2.26
Rot. Bonds9

About 4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide

4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide (PubChem CID 141488592) has the molecular formula C19H20N4O7S and a molecular weight of 448.46 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide
PubChem CID141488592
Molecular FormulaC19H20N4O7S
Molecular Weight448.46 g/mol
Exact Mass448.11
IUPAC Name4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide
SMILESCOCCNc1ccc([N+](=O)[O-])c2[nH]c(C(=O)NS(=O)(=O)c3ccc(OC)cc3)cc12
InChIInChI=1S/C19H20N4O7S/c1-29-10-9-20-15-7-8-17(23(25)26)18-14(15)11-16(21-18)19(24)22-31(27,28)13-5-3-12(30-2)4-6-13/h3-8,11,20-21H,9-10H2,1-2H3,(H,22,24)
InChIKeySELZERQMTVCYKN-UHFFFAOYSA-N
XLogP2.26
TPSA152.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyanoanilino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide
CID 141488770
N-(4-methoxyphenyl)sulfonyl-4-[3-methoxy-5-(trifluoromethyl)anilino]-7-nitro-1H-indole-2-carboxamide
CID 141488537
4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide
CID 148704936
4-(3-methoxyanilino)-7-nitro-N-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indole-2-carboxamide
CID 141488696
4-methoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 28549886
2-(1H-indol-5-yloxy)-N-[4-(2-methoxyethylamino)-3-nitrophenyl]sulfonylbenzamide
CID 140812005
4-(2,4-dimethoxyanilino)-7-nitro-1H-indole-2-carboxylic acid
CID 141488870
5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2-nitroaniline
CID 79034025
N-(4-methoxyphenyl)sulfonyl-3-nitrobenzamide
CID 22007146
4-(2-methoxyethylamino)-3-nitro-N-phenylbenzenesulfonamide
CID 9186192
N-(2-methoxyethyl)-N'-(4-methoxy-2-nitrophenyl)ethane-1,2-diamine
CID 83030382
N-(2-methoxyethyl)-3-nitro-4-(propylamino)benzenesulfonamide
CID 62148284

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide?
The IUPAC name of 4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide (CID 141488592) is 4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide?
The canonical SMILES for 4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide is COCCNc1ccc([N+](=O)[O-])c2[nH]c(C(=O)NS(=O)(=O)c3ccc(OC)cc3)cc12.
What is the InChIKey of 4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide?
The InChIKey is SELZERQMTVCYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O7S/c1-29-10-9-20-15-7-8-17(23(25)26)18-14(15)11-16(21-18)19(24)22-31(27,28)13-5-3-12(30-2)4-6-13/h3-8,11,20-21H,9-10H2,1-2H3,(H,22,24).
What are the key properties of 4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide?
4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide has a molecular weight of 448.46 g/mol, XLogP of 2.26, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide is sourced from PubChem (CID 141488592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).