2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide

C22H25N3O5S — CID 55768874

IUPAC2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NC(C)c3ccccc3NS(C)(=O)=O)cc2C1=O
InChIInChI=1S/C22H25N3O5S/c1-4-5-12-25-21(27)17-11-10-15(13-18(17)22(25)28)20(26)23-14(2)16-8-6-7-9-19(16)24-31(3,29)30/h6-11,13-14,24H,4-5,12H2,1-3H3,(H,23,26)
InChIKeyZOOCCYWVLNLJNX-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.95
Rot. Bonds8

About 2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide

2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55768874) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID55768874
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NC(C)c3ccccc3NS(C)(=O)=O)cc2C1=O
InChIInChI=1S/C22H25N3O5S/c1-4-5-12-25-21(27)17-11-10-15(13-18(17)22(25)28)20(26)23-14(2)16-8-6-7-9-19(16)24-31(3,29)30/h6-11,13-14,24H,4-5,12H2,1-3H3,(H,23,26)
InChIKeyZOOCCYWVLNLJNX-UHFFFAOYSA-N
XLogP2.95
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119588040
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
(2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119364341
N-(3-aminobutyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 119498610
2-butyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 46487110
2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 24538597
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 55699794
2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide
CID 24638088
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60544539

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide (CID 55768874) is 2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)NC(C)c3ccccc3NS(C)(=O)=O)cc2C1=O.
What is the InChIKey of 2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is ZOOCCYWVLNLJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-4-5-12-25-21(27)17-11-10-15(13-18(17)22(25)28)20(26)23-14(2)16-8-6-7-9-19(16)24-31(3,29)30/h6-11,13-14,24H,4-5,12H2,1-3H3,(H,23,26).
What are the key properties of 2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide?
2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55768874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).