4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C23H32N4O5S — CID 4019569

IUPAC4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1
InChIInChI=1S/C23H32N4O5S/c1-6-27(7-2)33(30,31)18-8-9-20(26-10-12-32-13-11-26)19(14-18)25-23(29)22-15(3)21(17(5)28)16(4)24-22/h8-9,14,24H,6-7,10-13H2,1-5H3,(H,25,29)
InChIKeyIBUWOJUUBDSMJP-UHFFFAOYSA-N
MW476.60 g/mol
LogP2.95
Rot. Bonds8

About 4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 4019569) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID4019569
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Name4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1
InChIInChI=1S/C23H32N4O5S/c1-6-27(7-2)33(30,31)18-8-9-20(26-10-12-32-13-11-26)19(14-18)25-23(29)22-15(3)21(17(5)28)16(4)24-22/h8-9,14,24H,6-7,10-13H2,1-5H3,(H,25,29)
InChIKeyIBUWOJUUBDSMJP-UHFFFAOYSA-N
XLogP2.95
TPSA111.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 4019569) is 4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1.
What is the InChIKey of 4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is IBUWOJUUBDSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-6-27(7-2)33(30,31)18-8-9-20(26-10-12-32-13-11-26)19(14-18)25-23(29)22-15(3)21(17(5)28)16(4)24-22/h8-9,14,24H,6-7,10-13H2,1-5H3,(H,25,29).
What are the key properties of 4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 4019569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).