N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide

C21H30N2O3S — CID 60582042

IUPACN-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide
SMILESCCCCN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C21H30N2O3S/c1-5-6-10-23(17-9-11-27(25,26)14-17)20(24)19-12-15-7-8-16(21(2,3)4)13-18(15)22-19/h7-8,12-13,17,22H,5-6,9-11,14H2,1-4H3
InChIKeyBKTKHJYCXTVYDW-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.89
Rot. Bonds5

About N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide

N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide (PubChem CID 60582042) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide
PubChem CID60582042
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC NameN-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide
SMILESCCCCN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C21H30N2O3S/c1-5-6-10-23(17-9-11-27(25,26)14-17)20(24)19-12-15-7-8-16(21(2,3)4)13-18(15)22-19/h7-8,12-13,17,22H,5-6,9-11,14H2,1-4H3
InChIKeyBKTKHJYCXTVYDW-UHFFFAOYSA-N
XLogP3.89
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide
CID 78840941
N-butyl-3-(4-tert-butylphenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 134026792
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)benzamide
CID 18573610
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzamide
CID 7259541
6-[butyl-(1,1-dioxothiolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119179473
N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-enyl-1H-indole-2-carboxamide
CID 94820885
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
CID 18573594
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 134026793
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-iodobenzamide
CID 55377393
5-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methylbenzamide
CID 120617449
N-butyl-N-(1,1-dioxothiolan-3-yl)-5-hydroxypyridine-3-carboxamide
CID 63858695
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]thiophene-2-carboxamide
CID 7259974

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide (CID 60582042) is N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide is CCCCN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide?
The InChIKey is BKTKHJYCXTVYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-5-6-10-23(17-9-11-27(25,26)14-17)20(24)19-12-15-7-8-16(21(2,3)4)13-18(15)22-19/h7-8,12-13,17,22H,5-6,9-11,14H2,1-4H3.
What are the key properties of N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide?
N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide has a molecular weight of 390.55 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 60582042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).