4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide

C24H33N3O4S — CID 133224920

IUPAC4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide
SMILESCOc1ccc(N(CCCC(=O)NCCCN2c3ccccc3CC2C)S(C)(=O)=O)cc1
InChIInChI=1S/C24H33N3O4S/c1-19-18-20-8-4-5-9-23(20)26(19)16-7-15-25-24(28)10-6-17-27(32(3,29)30)21-11-13-22(31-2)14-12-21/h4-5,8-9,11-14,19H,6-7,10,15-18H2,1-3H3,(H,25,28)
InChIKeyUZFKNHZQNDHQBO-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.20
Rot. Bonds11

About 4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide

4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide (PubChem CID 133224920) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide
PubChem CID133224920
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide
SMILESCOc1ccc(N(CCCC(=O)NCCCN2c3ccccc3CC2C)S(C)(=O)=O)cc1
InChIInChI=1S/C24H33N3O4S/c1-19-18-20-8-4-5-9-23(20)26(19)16-7-15-25-24(28)10-6-17-27(32(3,29)30)21-11-13-22(31-2)14-12-21/h4-5,8-9,11-14,19H,6-7,10,15-18H2,1-3H3,(H,25,28)
InChIKeyUZFKNHZQNDHQBO-UHFFFAOYSA-N
XLogP3.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide
CID 133219151
N-(4-methoxyphenyl)-N-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]methanesulfonamide
CID 100548871
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100646197
3-(3,5-dimethoxyphenyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60599544
N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144672
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 100760214
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide
CID 125063653
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 100754020
1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 78885927
(2R)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100674924
6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide
CID 133161449
N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133262206

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide?
The IUPAC name of 4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide (CID 133224920) is 4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide.
What is the SMILES notation for 4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide?
The canonical SMILES for 4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide is COc1ccc(N(CCCC(=O)NCCCN2c3ccccc3CC2C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide?
The InChIKey is UZFKNHZQNDHQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-19-18-20-8-4-5-9-23(20)26(19)16-7-15-25-24(28)10-6-17-27(32(3,29)30)21-11-13-22(31-2)14-12-21/h4-5,8-9,11-14,19H,6-7,10,15-18H2,1-3H3,(H,25,28).
What are the key properties of 4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide?
4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide has a molecular weight of 459.61 g/mol, XLogP of 3.20, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide is sourced from PubChem (CID 133224920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).