N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide

C24H27N3O4S — CID 110501887

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
SMILESC=CCn1c(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C24H27N3O4S/c1-6-13-27-22-12-7-18(15(2)3)14-21(22)16(4)23(27)24(29)25-19-8-10-20(11-9-19)32(30,31)26-17(5)28/h6-12,14-15H,1,13H2,2-5H3,(H,25,29)(H,26,28)
InChIKeyBQQFQUPKUHILNQ-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.34
Rot. Bonds7

About N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide (PubChem CID 110501887) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
PubChem CID110501887
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
SMILESC=CCn1c(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C24H27N3O4S/c1-6-13-27-22-12-7-18(15(2)3)14-21(22)16(4)23(27)24(29)25-19-8-10-20(11-9-19)32(30,31)26-17(5)28/h6-12,14-15H,1,13H2,2-5H3,(H,25,29)(H,26,28)
InChIKeyBQQFQUPKUHILNQ-UHFFFAOYSA-N
XLogP4.34
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110501995
N-(9,10-dioxoanthracen-2-yl)-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110501979
3-methyl-N-(3-nitrophenyl)-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110501964
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110501965
3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide
CID 110497638
N-(9,10-dioxoanthracen-1-yl)-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110501940
methyl 3-[(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]thiophene-2-carboxylate
CID 110502035
N-[2-(diethylamino)ethyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110497608
N,N-bis(2-hydroxyethyl)-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110498884
N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110503859
3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 110497659
3-[(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)-propylamino]propanoic acid
CID 110498943

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide (CID 110501887) is N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide is C=CCn1c(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c(C)c2cc(C(C)C)ccc21.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide?
The InChIKey is BQQFQUPKUHILNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-6-13-27-22-12-7-18(15(2)3)14-21(22)16(4)23(27)24(29)25-19-8-10-20(11-9-19)32(30,31)26-17(5)28/h6-12,14-15H,1,13H2,2-5H3,(H,25,29)(H,26,28).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide is sourced from PubChem (CID 110501887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).