N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C40H34N8O7S2 — CID 90013118

IUPACN-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cn(C)c(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)n1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C20H18N4O4S.C20H16N4O3S/c1-13-12-24(2)20(23-13)29(26,27)16-5-3-14(4-6-16)10-22-19(25)17-9-15-7-8-21-11-18(15)28-17;25-19(16-13-23-20-21-10-11-24(20)14-16)22-12-15-6-8-18(9-7-15)28(26,27)17-4-2-1-3-5-17/h3-9,11-12H,10H2,1-2H3,(H,22,25);1-11,13-14H,12H2,(H,22,25)
InChIKeyHBRNKTBETVWQLT-UHFFFAOYSA-N
MW802.90 g/mol
LogP5.12
Rot. Bonds10

About N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90013118) has the molecular formula C40H34N8O7S2 and a molecular weight of 802.90 g/mol. Its IUPAC name is N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90013118
Molecular FormulaC40H34N8O7S2
Molecular Weight802.90 g/mol
Exact Mass802.20
IUPAC NameN-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cn(C)c(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)n1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C20H18N4O4S.C20H16N4O3S/c1-13-12-24(2)20(23-13)29(26,27)16-5-3-14(4-6-16)10-22-19(25)17-9-15-7-8-21-11-18(15)28-17;25-19(16-13-23-20-21-10-11-24(20)14-16)22-12-15-6-8-18(9-7-15)28(26,27)17-4-2-1-3-5-17/h3-9,11-12H,10H2,1-2H3,(H,22,25);1-11,13-14H,12H2,(H,22,25)
InChIKeyHBRNKTBETVWQLT-UHFFFAOYSA-N
XLogP5.12
TPSA200.52 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500802.90
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90013118) is N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1cn(C)c(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)n1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cnc2nccn2c1.
What is the InChIKey of N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is HBRNKTBETVWQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S.C20H16N4O3S/c1-13-12-24(2)20(23-13)29(26,27)16-5-3-14(4-6-16)10-22-19(25)17-9-15-7-8-21-11-18(15)28-17;25-19(16-13-23-20-21-10-11-24(20)14-16)22-12-15-6-8-18(9-7-15)28(26,27)17-4-2-1-3-5-17/h3-9,11-12H,10H2,1-2H3,(H,22,25);1-11,13-14H,12H2,(H,22,25).
What are the key properties of N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 802.90 g/mol, XLogP of 5.12, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,4-dimethylimidazol-2-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90013118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).