2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C22H23N3O3S — CID 9082352

IUPAC2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1cccc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H23N3O3S/c26-22(16-23-21-9-5-7-17-6-1-2-8-20(17)21)24-18-10-12-19(13-11-18)29(27,28)25-14-3-4-15-25/h1-2,5-13,23H,3-4,14-16H2,(H,24,26)
InChIKeyRBIGIOKFCGSXCJ-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.67
Rot. Bonds6

About 2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 9082352) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID9082352
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1cccc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H23N3O3S/c26-22(16-23-21-9-5-7-17-6-1-2-8-20(17)21)24-18-10-12-19(13-11-18)29(27,28)25-14-3-4-15-25/h1-2,5-13,23H,3-4,14-16H2,(H,24,26)
InChIKeyRBIGIOKFCGSXCJ-UHFFFAOYSA-N
XLogP3.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 42069796
2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9080500
2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080738
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 42026353
2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1013950
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083596
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
N-(2-fluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083962
N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083951
2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9099375
2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 22307501

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 9082352) is 2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(CNc1cccc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is RBIGIOKFCGSXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-22(16-23-21-9-5-7-17-6-1-2-8-20(17)21)24-18-10-12-19(13-11-18)29(27,28)25-14-3-4-15-25/h1-2,5-13,23H,3-4,14-16H2,(H,24,26).
What are the key properties of 2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 409.51 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 9082352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).