N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide

C22H29N3O5S — CID 30221065

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NCCCN2CCc3ccccc32)S(C)(=O)=O)cc1OC
InChIInChI=1S/C22H29N3O5S/c1-29-20-10-9-18(15-21(20)30-2)25(31(3,27)28)16-22(26)23-12-6-13-24-14-11-17-7-4-5-8-19(17)24/h4-5,7-10,15H,6,11-14,16H2,1-3H3,(H,23,26)
InChIKeyWQPDBANYKQLICC-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.04
Rot. Bonds10

About N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 30221065) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
PubChem CID30221065
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NCCCN2CCc3ccccc32)S(C)(=O)=O)cc1OC
InChIInChI=1S/C22H29N3O5S/c1-29-20-10-9-18(15-21(20)30-2)25(31(3,27)28)16-22(26)23-12-6-13-24-14-11-17-7-4-5-8-19(17)24/h4-5,7-10,15H,6,11-14,16H2,1-3H3,(H,23,26)
InChIKeyWQPDBANYKQLICC-UHFFFAOYSA-N
XLogP2.04
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215480
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 30253872
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 30217141
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 28635305
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 30206139
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2279376
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 51342792
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30212131
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6492929
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 43895066
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221096
N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1085637

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide (CID 30221065) is N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide is COc1ccc(N(CC(=O)NCCCN2CCc3ccccc32)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is WQPDBANYKQLICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-29-20-10-9-18(15-21(20)30-2)25(31(3,27)28)16-22(26)23-12-6-13-24-14-11-17-7-4-5-8-19(17)24/h4-5,7-10,15H,6,11-14,16H2,1-3H3,(H,23,26).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 447.56 g/mol, XLogP of 2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30221065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).