N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide

C19H25NO4S — CID 167987943

IUPACN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide
SMILESCC1(C)CC(C(=O)N(C2CC2)C2CCS(=O)(=O)C2)c2ccccc2O1
InChIInChI=1S/C19H25NO4S/c1-19(2)11-16(15-5-3-4-6-17(15)24-19)18(21)20(13-7-8-13)14-9-10-25(22,23)12-14/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyLWJFUBZCBFYGCB-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.51
Rot. Bonds3

About N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide (PubChem CID 167987943) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide
PubChem CID167987943
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide
SMILESCC1(C)CC(C(=O)N(C2CC2)C2CCS(=O)(=O)C2)c2ccccc2O1
InChIInChI=1S/C19H25NO4S/c1-19(2)11-16(15-5-3-4-6-17(15)24-19)18(21)20(13-7-8-13)14-9-10-25(22,23)12-14/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyLWJFUBZCBFYGCB-UHFFFAOYSA-N
XLogP2.51
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide
CID 9344377
cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 124829902
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81141160
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
CID 60605416
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-iodobenzamide
CID 55452976
N-(1,1-dioxothiolan-3-yl)-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43053951
(2S,3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 93275715
2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide
CID 166208442
2-(2,3-dihydro-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 110753788
(2-cyclobutyl-2-fluoroethyl) 2,2-dimethyl-3,4-dihydrochromene-4-carboxylate
CID 167845999
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7697526

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide (CID 167987943) is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide is CC1(C)CC(C(=O)N(C2CC2)C2CCS(=O)(=O)C2)c2ccccc2O1.
What is the InChIKey of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide?
The InChIKey is LWJFUBZCBFYGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-19(2)11-16(15-5-3-4-6-17(15)24-19)18(21)20(13-7-8-13)14-9-10-25(22,23)12-14/h3-6,13-14,16H,7-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide?
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide is sourced from PubChem (CID 167987943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).