(4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate

C27H28N2O5S — CID 69301487

IUPAC(4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate
SMILESCOc1ccc(OC(=O)Nc2ccc3c(c2)CC2CCC(C3)C2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C27H28N2O5S/c1-33-23-11-13-24(14-12-23)34-27(30)28-22-10-9-18-15-19-7-8-20(16-21(18)17-22)26(19)29-35(31,32)25-5-3-2-4-6-25/h2-6,9-14,17,19-20,26,29H,7-8,15-16H2,1H3,(H,28,30)
InChIKeyZRWQTLDOWOETIQ-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.78
Rot. Bonds6

About (4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate

(4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate (PubChem CID 69301487) has the molecular formula C27H28N2O5S and a molecular weight of 492.60 g/mol. Its IUPAC name is (4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate
PubChem CID69301487
Molecular FormulaC27H28N2O5S
Molecular Weight492.60 g/mol
Exact Mass492.17
IUPAC Name(4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate
SMILESCOc1ccc(OC(=O)Nc2ccc3c(c2)CC2CCC(C3)C2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C27H28N2O5S/c1-33-23-11-13-24(14-12-23)34-27(30)28-22-10-9-18-15-19-7-8-20(16-21(18)17-22)26(19)29-35(31,32)25-5-3-2-4-6-25/h2-6,9-14,17,19-20,26,29H,7-8,15-16H2,1H3,(H,28,30)
InChIKeyZRWQTLDOWOETIQ-UHFFFAOYSA-N
XLogP4.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-phenyl-N-[(1R,10S,13R)-13-(thiophen-2-ylsulfonylamino)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]acetamide
CID 159627381
N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide
CID 69301468
(4-methoxyphenyl) N-[3-[[(3R)-3-(trimethylsilyloxycarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]carbamate
CID 10745633
(4-methoxyphenyl) N-(3-aminophenyl)carbamate
CID 12941472
(3R)-2-(4-methoxyphenyl)sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 11826687
N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55504753
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
N-(9H-fluoren-2-yl)-4-methoxybenzenesulfonamide
CID 3775987

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate?
The IUPAC name of (4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate (CID 69301487) is (4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate?
The canonical SMILES for (4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate is COc1ccc(OC(=O)Nc2ccc3c(c2)CC2CCC(C3)C2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate?
The InChIKey is ZRWQTLDOWOETIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5S/c1-33-23-11-13-24(14-12-23)34-27(30)28-22-10-9-18-15-19-7-8-20(16-21(18)17-22)26(19)29-35(31,32)25-5-3-2-4-6-25/h2-6,9-14,17,19-20,26,29H,7-8,15-16H2,1H3,(H,28,30).
What are the key properties of (4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate?
(4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate has a molecular weight of 492.60 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate is sourced from PubChem (CID 69301487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).