3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide

C24H29N3O3S — CID 110497638

IUPAC3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide
SMILESC=CCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C24H29N3O3S/c1-5-14-27-22-11-8-19(16(2)3)15-21(22)17(4)23(27)24(28)26-13-12-18-6-9-20(10-7-18)31(25,29)30/h5-11,15-16H,1,12-14H2,2-4H3,(H,26,28)(H2,25,29,30)
InChIKeyJCUREJOURFWVCB-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.88
Rot. Bonds8

About 3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide

3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide (PubChem CID 110497638) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide
PubChem CID110497638
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide
SMILESC=CCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C24H29N3O3S/c1-5-14-27-22-11-8-19(16(2)3)15-21(22)17(4)23(27)24(28)26-13-12-18-6-9-20(10-7-18)31(25,29)30/h5-11,15-16H,1,12-14H2,2-4H3,(H,26,28)(H2,25,29,30)
InChIKeyJCUREJOURFWVCB-UHFFFAOYSA-N
XLogP3.88
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)ethyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110497608
N-[(2-fluorophenyl)methyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110497642
3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 110497659
N,N-bis(2-hydroxyethyl)-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110498884
N-(9,10-dioxoanthracen-1-yl)-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110501940
N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110498914
3-methyl-N-(3-nitrophenyl)-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110501964
3-[(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)-propylamino]propanoic acid
CID 110498943
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
2,5-dimethyl-1-(3-propan-2-ylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-3-carboxamide
CID 46458623
ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate
CID 110498940
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide?
The IUPAC name of 3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide (CID 110497638) is 3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide.
What is the SMILES notation for 3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide?
The canonical SMILES for 3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide is C=CCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c2cc(C(C)C)ccc21.
What is the InChIKey of 3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide?
The InChIKey is JCUREJOURFWVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-5-14-27-22-11-8-19(16(2)3)15-21(22)17(4)23(27)24(28)26-13-12-18-6-9-20(10-7-18)31(25,29)30/h5-11,15-16H,1,12-14H2,2-4H3,(H,26,28)(H2,25,29,30).
What are the key properties of 3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide?
3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide is sourced from PubChem (CID 110497638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).