N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide

C20H22N2O3S — CID 37349622

IUPACN,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-4-6-16(7-5-15)8-11-20(23)22-13-12-17-14-18(9-10-19(17)22)26(24,25)21(2)3/h4-11,14H,12-13H2,1-3H3/b11-8+
InChIKeyUNFLMIBHUMMXDG-DHZHZOJOSA-N
MW370.47 g/mol
LogP2.85
Rot. Bonds4

About N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide

N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 37349622) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID37349622
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-4-6-16(7-5-15)8-11-20(23)22-13-12-17-14-18(9-10-19(17)22)26(24,25)21(2)3/h4-11,14H,12-13H2,1-3H3/b11-8+
InChIKeyUNFLMIBHUMMXDG-DHZHZOJOSA-N
XLogP2.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769517
N,N-dimethyl-1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
CID 26769636
N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164497
(E)-3-phenyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 55438489
(E)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 19258980
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 43926350
1-[4-[(E)-3-oxo-3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-1-enyl]phenyl]pyrrolidin-2-one
CID 55491590
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate
CID 52527565
N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 18097880

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide (CID 37349622) is N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide is Cc1ccc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1.
What is the InChIKey of N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is UNFLMIBHUMMXDG-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-4-6-16(7-5-15)8-11-20(23)22-13-12-17-14-18(9-10-19(17)22)26(24,25)21(2)3/h4-11,14H,12-13H2,1-3H3/b11-8+.
What are the key properties of N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide?
N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 37349622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).