N-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide

C19H24N2O4S — CID 2885413

IUPACN-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H24N2O4S/c1-12(22)20-16-2-4-17(5-3-16)26(24,25)21-18(23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyGRPCQEGBJTVELB-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.67
Rot. Bonds4

About N-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide

N-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide (PubChem CID 2885413) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide
PubChem CID2885413
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H24N2O4S/c1-12(22)20-16-2-4-17(5-3-16)26(24,25)21-18(23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyGRPCQEGBJTVELB-UHFFFAOYSA-N
XLogP2.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide (CID 2885413) is N-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide?
The InChIKey is GRPCQEGBJTVELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-12(22)20-16-2-4-17(5-3-16)26(24,25)21-18(23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide?
N-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)sulfonyladamantane-1-carboxamide is sourced from PubChem (CID 2885413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).