2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide

C20H27N3O4S — CID 4969339

IUPAC2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27N3O4S/c21-28(26,27)17-3-1-2-16(7-17)23-19(25)12-22-18(24)11-20-8-13-4-14(9-20)6-15(5-13)10-20/h1-3,7,13-15H,4-6,8-12H2,(H,22,24)(H,23,25)(H2,21,26,27)
InChIKeyUKESDKSGLRIOLK-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.00
Rot. Bonds6

About 2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide

2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide (PubChem CID 4969339) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide
PubChem CID4969339
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27N3O4S/c21-28(26,27)17-3-1-2-16(7-17)23-19(25)12-22-18(24)11-20-8-13-4-14(9-20)6-15(5-13)10-20/h1-3,7,13-15H,4-6,8-12H2,(H,22,24)(H,23,25)(H2,21,26,27)
InChIKeyUKESDKSGLRIOLK-UHFFFAOYSA-N
XLogP2.00
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide (CID 4969339) is 2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide is NS(=O)(=O)c1cccc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide?
The InChIKey is UKESDKSGLRIOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c21-28(26,27)17-3-1-2-16(7-17)23-19(25)12-22-18(24)11-20-8-13-4-14(9-20)6-15(5-13)10-20/h1-3,7,13-15H,4-6,8-12H2,(H,22,24)(H,23,25)(H2,21,26,27).
What are the key properties of 2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide?
2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide has a molecular weight of 405.52 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]acetamide is sourced from PubChem (CID 4969339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).