N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide

C14H17N3O6S2 — CID 110600998

IUPACN-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
SMILESO=C1Cc2cc(S(=O)(=O)NCC(=O)NC3CCS(=O)(=O)C3)ccc2N1
InChIInChI=1S/C14H17N3O6S2/c18-13-6-9-5-11(1-2-12(9)17-13)25(22,23)15-7-14(19)16-10-3-4-24(20,21)8-10/h1-2,5,10,15H,3-4,6-8H2,(H,16,19)(H,17,18)
InChIKeyKLOQDILLEQGOFO-UHFFFAOYSA-N
MW387.44 g/mol
LogP-1.24
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide (PubChem CID 110600998) has the molecular formula C14H17N3O6S2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
PubChem CID110600998
Molecular FormulaC14H17N3O6S2
Molecular Weight387.44 g/mol
Exact Mass387.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
SMILESO=C1Cc2cc(S(=O)(=O)NCC(=O)NC3CCS(=O)(=O)C3)ccc2N1
InChIInChI=1S/C14H17N3O6S2/c18-13-6-9-5-11(1-2-12(9)17-13)25(22,23)15-7-14(19)16-10-3-4-24(20,21)8-10/h1-2,5,10,15H,3-4,6-8H2,(H,16,19)(H,17,18)
InChIKeyKLOQDILLEQGOFO-UHFFFAOYSA-N
XLogP-1.24
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110600977
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110407099
N-(4-chlorophenyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 112997954
N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 110407095
N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide
CID 119055173
N-(2-morpholin-4-ylethyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 110285252
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]acetamide
CID 8801657
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110370943
N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 112992769
N-cyclopentyl-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide
CID 113052888
N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 40917372
N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110398488

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide (CID 110600998) is N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide is O=C1Cc2cc(S(=O)(=O)NCC(=O)NC3CCS(=O)(=O)C3)ccc2N1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide?
The InChIKey is KLOQDILLEQGOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O6S2/c18-13-6-9-5-11(1-2-12(9)17-13)25(22,23)15-7-14(19)16-10-3-4-24(20,21)8-10/h1-2,5,10,15H,3-4,6-8H2,(H,16,19)(H,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide has a molecular weight of 387.44 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide is sourced from PubChem (CID 110600998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).