N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide

C21H23N3O3S — CID 126772219

IUPACN-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1ccc2[nH]ccc2c1)N(Cc1cccnc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C21H23N3O3S/c25-21(6-4-16-3-5-20-18(12-16)7-10-23-20)24(14-17-2-1-9-22-13-17)19-8-11-28(26,27)15-19/h1-3,5,7,9-10,12-13,19,23H,4,6,8,11,14-15H2
InChIKeyGATVYGDVGKVWCD-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.71
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide

N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 126772219) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID126772219
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1ccc2[nH]ccc2c1)N(Cc1cccnc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C21H23N3O3S/c25-21(6-4-16-3-5-20-18(12-16)7-10-23-20)24(14-17-2-1-9-22-13-17)19-8-11-28(26,27)15-19/h1-3,5,7,9-10,12-13,19,23H,4,6,8,11,14-15H2
InChIKeyGATVYGDVGKVWCD-UHFFFAOYSA-N
XLogP2.71
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 95740479
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 164638269
3-cyclohexyl-1-[(3R)-1,1-dioxothiolan-3-yl]-1-(pyridin-3-ylmethyl)thiourea
CID 51430350
N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 138998223
3-[2-(1H-indol-5-yl)ethyl]thiolane 1,1-dioxide
CID 70758833
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70784252
3-(1H-indol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 75444249
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide
CID 39335402
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390427
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(pyridin-3-ylmethylamino)acetamide
CID 108999351
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 125180022

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 126772219) is N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide is O=C(CCc1ccc2[nH]ccc2c1)N(Cc1cccnc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is GATVYGDVGKVWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-21(6-4-16-3-5-20-18(12-16)7-10-23-20)24(14-17-2-1-9-22-13-17)19-8-11-28(26,27)15-19/h1-3,5,7,9-10,12-13,19,23H,4,6,8,11,14-15H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide?
N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 397.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 126772219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).