N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide

C20H21N3O3S — CID 43048357

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C20H21N3O3S/c1-13-10-14(2)17-12-19(22-18(17)11-13)20(24)21-15-4-6-16(7-5-15)23-8-3-9-27(23,25)26/h4-7,10-12,22H,3,8-9H2,1-2H3,(H,21,24)
InChIKeyYSOYRXGHAZLYTL-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.58
Rot. Bonds3

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 43048357) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID43048357
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C20H21N3O3S/c1-13-10-14(2)17-12-19(22-18(17)11-13)20(24)21-15-4-6-16(7-5-15)23-8-3-9-27(23,25)26/h4-7,10-12,22H,3,8-9H2,1-2H3,(H,21,24)
InChIKeyYSOYRXGHAZLYTL-UHFFFAOYSA-N
XLogP3.58
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7584549
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 42414553
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylphenyl)urea
CID 30375019
N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110295534
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 16831289

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide (CID 43048357) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is YSOYRXGHAZLYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-10-14(2)17-12-19(22-18(17)11-13)20(24)21-15-4-6-16(7-5-15)23-8-3-9-27(23,25)26/h4-7,10-12,22H,3,8-9H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 43048357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).