N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide

C22H22N2O4S2 — CID 55383347

IUPACN-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1
InChIInChI=1S/C22H22N2O4S2/c1-28-19-8-6-18(7-9-19)23(15-20-4-3-13-29-20)22(25)17-5-10-21-16(14-17)11-12-24(21)30(2,26)27/h3-10,13-14H,11-12,15H2,1-2H3
InChIKeyLXJADEHPRGXQIT-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.93
Rot. Bonds6

About N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide

N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 55383347) has the molecular formula C22H22N2O4S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
PubChem CID55383347
Molecular FormulaC22H22N2O4S2
Molecular Weight442.56 g/mol
Exact Mass442.10
IUPAC NameN-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1
InChIInChI=1S/C22H22N2O4S2/c1-28-19-8-6-18(7-9-19)23(15-20-4-3-13-29-20)22(25)17-5-10-21-16(14-17)11-12-24(21)30(2,26)27/h3-10,13-14H,11-12,15H2,1-2H3
InChIKeyLXJADEHPRGXQIT-UHFFFAOYSA-N
XLogP3.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
1-methylsulfonyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8894179
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17421377
N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86906799
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 9061468
N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 51323616
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31151601
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide
CID 55966655
N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 134008525
N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46555724
6-(2,6-dimethylmorpholin-4-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 112822032
N-(4-methoxyphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8693164

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide (CID 55383347) is N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide is COc1ccc(N(Cc2cccs2)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is LXJADEHPRGXQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S2/c1-28-19-8-6-18(7-9-19)23(15-20-4-3-13-29-20)22(25)17-5-10-21-16(14-17)11-12-24(21)30(2,26)27/h3-10,13-14H,11-12,15H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55383347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).