propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate

C20H24N2O6S — CID 123732711

IUPACpropan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate
SMILESCOc1ccc2c(c1)C=C(C(=O)NC1SCCC1C(=O)NC(=O)OC(C)C)CO2
InChIInChI=1S/C20H24N2O6S/c1-11(2)28-20(25)22-18(24)15-6-7-29-19(15)21-17(23)13-8-12-9-14(26-3)4-5-16(12)27-10-13/h4-5,8-9,11,15,19H,6-7,10H2,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyXLCDZJJWPTZVIH-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.33
Rot. Bonds5

About propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate

propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate (PubChem CID 123732711) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate
PubChem CID123732711
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Namepropan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate
SMILESCOc1ccc2c(c1)C=C(C(=O)NC1SCCC1C(=O)NC(=O)OC(C)C)CO2
InChIInChI=1S/C20H24N2O6S/c1-11(2)28-20(25)22-18(24)15-6-7-29-19(15)21-17(23)13-8-12-9-14(26-3)4-5-16(12)27-10-13/h4-5,8-9,11,15,19H,6-7,10H2,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyXLCDZJJWPTZVIH-UHFFFAOYSA-N
XLogP2.33
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123376492
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide
CID 119456581
6-methoxy-N-(2-methylpiperidin-3-yl)-2H-chromene-3-carboxamide
CID 120574761
N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide
CID 119602105
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide
CID 166186910
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120654267
N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46488602
N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide
CID 22578380
N-[(2R)-1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide
CID 92713356
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 1478813
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate?
The IUPAC name of propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate (CID 123732711) is propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate is COc1ccc2c(c1)C=C(C(=O)NC1SCCC1C(=O)NC(=O)OC(C)C)CO2.
What is the InChIKey of propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate?
The InChIKey is XLCDZJJWPTZVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-11(2)28-20(25)22-18(24)15-6-7-29-19(15)21-17(23)13-8-12-9-14(26-3)4-5-16(12)27-10-13/h4-5,8-9,11,15,19H,6-7,10H2,1-3H3,(H,21,23)(H,22,24,25).
What are the key properties of propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate?
propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate has a molecular weight of 420.49 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate is sourced from PubChem (CID 123732711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).