3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide

C24H27N3O6S — CID 52909973

IUPAC3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide
SMILESCC[C@]1(c2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)NC4CC4)c3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C24H27N3O6S/c1-3-24(13-12-21(28)26-23(24)30)16-5-7-17(8-6-16)25-22(29)15-4-11-19(33-2)20(14-15)34(31,32)27-18-9-10-18/h4-8,11,14,18,27H,3,9-10,12-13H2,1-2H3,(H,25,29)(H,26,28,30)/t24-/m1/s1
InChIKeyVQQLNSNGSJJERR-XMMPIXPASA-N
MW485.56 g/mol
LogP2.47
Rot. Bonds8

About 3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide

3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide (PubChem CID 52909973) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide
PubChem CID52909973
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC Name3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide
SMILESCC[C@]1(c2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)NC4CC4)c3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C24H27N3O6S/c1-3-24(13-12-21(28)26-23(24)30)16-5-7-17(8-6-16)25-22(29)15-4-11-19(33-2)20(14-15)34(31,32)27-18-9-10-18/h4-8,11,14,18,27H,3,9-10,12-13H2,1-2H3,(H,25,29)(H,26,28,30)/t24-/m1/s1
InChIKeyVQQLNSNGSJJERR-XMMPIXPASA-N
XLogP2.47
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide
CID 40946988
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
CID 55377344
ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 9228353
N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide
CID 26381192
3-(cyclopentylsulfamoyl)-4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42147015
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
CID 119223228
N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 29435478
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide (CID 52909973) is 3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide is CC[C@]1(c2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)NC4CC4)c3)cc2)CCC(=O)NC1=O.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide?
The InChIKey is VQQLNSNGSJJERR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-3-24(13-12-21(28)26-23(24)30)16-5-7-17(8-6-16)25-22(29)15-4-11-19(33-2)20(14-15)34(31,32)27-18-9-10-18/h4-8,11,14,18,27H,3,9-10,12-13H2,1-2H3,(H,25,29)(H,26,28,30)/t24-/m1/s1.
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide?
3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide has a molecular weight of 485.56 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 52909973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).