2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C22H30N2O3S — CID 4810691

IUPAC2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H30N2O3S/c25-21(15-22-12-16-8-17(13-22)10-18(9-16)14-22)23-19-4-3-5-20(11-19)28(26,27)24-6-1-2-7-24/h3-5,11,16-18H,1-2,6-10,12-15H2,(H,23,25)
InChIKeyBUQNFLWPZAUBRK-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.02
Rot. Bonds5

About 2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4810691) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID4810691
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H30N2O3S/c25-21(15-22-12-16-8-17(13-22)10-18(9-16)14-22)23-19-4-3-5-20(11-19)28(26,27)24-6-1-2-7-24/h3-5,11,16-18H,1-2,6-10,12-15H2,(H,23,25)
InChIKeyBUQNFLWPZAUBRK-UHFFFAOYSA-N
XLogP4.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide
CID 17486752
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] (5S,7S)-3-chloroadamantane-1-carboxylate
CID 98592719
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
3-[methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]propanoic acid
CID 119911319
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 119672233
2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide
CID 55636206

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 4810691) is 2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is BUQNFLWPZAUBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c25-21(15-22-12-16-8-17(13-22)10-18(9-16)14-22)23-19-4-3-5-20(11-19)28(26,27)24-6-1-2-7-24/h3-5,11,16-18H,1-2,6-10,12-15H2,(H,23,25).
What are the key properties of 2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 402.56 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4810691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).