6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide

C19H16ClNO5S2 — CID 40871455

IUPAC6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
SMILESO=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H16ClNO5S2/c20-12-3-4-17-15(8-12)16(22)9-18(26-17)19(23)21(10-14-2-1-6-27-14)13-5-7-28(24,25)11-13/h1-4,6,8-9,13H,5,7,10-11H2/t13-/m1/s1
InChIKeyOWYQISBWZSPMNH-CYBMUJFWSA-N
MW437.93 g/mol
LogP3.34
Rot. Bonds4

About 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide

6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide (PubChem CID 40871455) has the molecular formula C19H16ClNO5S2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
PubChem CID40871455
Molecular FormulaC19H16ClNO5S2
Molecular Weight437.93 g/mol
Exact Mass437.02
IUPAC Name6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
SMILESO=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H16ClNO5S2/c20-12-3-4-17-15(8-12)16(22)9-18(26-17)19(23)21(10-14-2-1-6-27-14)13-5-7-28(24,25)11-13/h1-4,6,8-9,13H,5,7,10-11H2/t13-/m1/s1
InChIKeyOWYQISBWZSPMNH-CYBMUJFWSA-N
XLogP3.34
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide with MolForge

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35342430
N-[(3S)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 26818975
6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methylphenyl)methyl]-4-oxochromene-2-carboxamide
CID 40871452
6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-4-oxochromene-2-carboxamide
CID 40851076
N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 26818842
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 26818832
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 26818851
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 40775927
N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide
CID 23605578
N-[[4-(diethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605558
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 41077888
6-chloro-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-7-methyl-4-oxochromene-2-carboxamide
CID 666906

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide (CID 40871455) is 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide is O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide?
The InChIKey is OWYQISBWZSPMNH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16ClNO5S2/c20-12-3-4-17-15(8-12)16(22)9-18(26-17)19(23)21(10-14-2-1-6-27-14)13-5-7-28(24,25)11-13/h1-4,6,8-9,13H,5,7,10-11H2/t13-/m1/s1.
What are the key properties of 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide?
6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide is sourced from PubChem (CID 40871455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).