2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C25H25N3O5S — CID 42068320

IUPAC2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1cc2c(cc1NCC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)oc1ccccc12
InChIInChI=1S/C25H25N3O5S/c1-32-24-14-20-19-9-2-3-10-22(19)33-23(20)15-21(24)26-16-25(29)27-17-7-6-8-18(13-17)34(30,31)28-11-4-5-12-28/h2-3,6-10,13-15,26H,4-5,11-12,16H2,1H3,(H,27,29)
InChIKeyKSEWIJLHONESMV-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.43
Rot. Bonds7

About 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 42068320) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID42068320
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1cc2c(cc1NCC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)oc1ccccc12
InChIInChI=1S/C25H25N3O5S/c1-32-24-14-20-19-9-2-3-10-22(19)33-23(20)15-21(24)26-16-25(29)27-17-7-6-8-18(13-17)34(30,31)28-11-4-5-12-28/h2-3,6-10,13-15,26H,4-5,11-12,16H2,1H3,(H,27,29)
InChIKeyKSEWIJLHONESMV-UHFFFAOYSA-N
XLogP4.43
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_A(4)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4854756
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 42996635
N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083438
2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9080500
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 24583231
N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55897560
2-[(2-methoxydibenzofuran-3-yl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 41397481
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46797807
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide
CID 42068388

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 42068320) is 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is COc1cc2c(cc1NCC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)oc1ccccc12.
What is the InChIKey of 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is KSEWIJLHONESMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-32-24-14-20-19-9-2-3-10-22(19)33-23(20)15-21(24)26-16-25(29)27-17-7-6-8-18(13-17)34(30,31)28-11-4-5-12-28/h2-3,6-10,13-15,26H,4-5,11-12,16H2,1H3,(H,27,29).
What are the key properties of 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 479.56 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 42068320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).