N-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen

C23H28N4O3S — CID 161264558

IUPACN-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2ccc(N)cc2)c(NCc2ccccc2)n1.[H][H]
InChIInChI=1S/C23H26N4O3S.H2/c1-23(2,3)20-14-13-19(21(26-20)25-15-16-7-5-4-6-8-16)22(28)27-31(29,30)18-11-9-17(24)10-12-18;/h4-14H,15,24H2,1-3H3,(H,25,26)(H,27,28);1H
InChIKeyVCZQZRCAQPDILL-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.94
Rot. Bonds6

About N-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen

N-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen (PubChem CID 161264558) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen
PubChem CID161264558
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2ccc(N)cc2)c(NCc2ccccc2)n1.[H][H]
InChIInChI=1S/C23H26N4O3S.H2/c1-23(2,3)20-14-13-19(21(26-20)25-15-16-7-5-4-6-8-16)22(28)27-31(29,30)18-11-9-17(24)10-12-18;/h4-14H,15,24H2,1-3H3,(H,25,26)(H,27,28);1H
InChIKeyVCZQZRCAQPDILL-UHFFFAOYSA-N
XLogP3.94
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of N-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen (CID 161264558) is N-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen is CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2ccc(N)cc2)c(NCc2ccccc2)n1.[H][H].
What is the InChIKey of N-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen?
The InChIKey is VCZQZRCAQPDILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S.H2/c1-23(2,3)20-14-13-19(21(26-20)25-15-16-7-5-4-6-8-16)22(28)27-31(29,30)18-11-9-17(24)10-12-18;/h4-14H,15,24H2,1-3H3,(H,25,26)(H,27,28);1H.
What are the key properties of N-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen?
N-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen has a molecular weight of 440.57 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfonyl-2-(benzylamino)-6-tert-butylpyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 161264558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).