2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide

C16H23ClN2O5S — CID 67598198

IUPAC2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide
SMILESCN(C)C(=O)C(N)(C1c2cc(Cl)ccc2OC(C)(C)C1O)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O5S/c1-15(2)13(20)12(10-8-9(17)6-7-11(10)24-15)16(18,25(5,22)23)14(21)19(3)4/h6-8,12-13,20H,18H2,1-5H3
InChIKeyWXLDPOCDNSLRHB-UHFFFAOYSA-N
MW390.89 g/mol
LogP0.74
Rot. Bonds3

About 2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide

2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide (PubChem CID 67598198) has the molecular formula C16H23ClN2O5S and a molecular weight of 390.89 g/mol. Its IUPAC name is 2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide.

Molecular Properties

Compound Name2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide
PubChem CID67598198
Molecular FormulaC16H23ClN2O5S
Molecular Weight390.89 g/mol
Exact Mass390.10
IUPAC Name2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide
SMILESCN(C)C(=O)C(N)(C1c2cc(Cl)ccc2OC(C)(C)C1O)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O5S/c1-15(2)13(20)12(10-8-9(17)6-7-11(10)24-15)16(18,25(5,22)23)14(21)19(3)4/h6-8,12-13,20H,18H2,1-5H3
InChIKeyWXLDPOCDNSLRHB-UHFFFAOYSA-N
XLogP0.74
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide with MolForge

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Related Compounds

N-[(3R,4S)-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-hydroxyacetamide
CID 18645527
1-(2-acetyl-5-chloro-3-hydroxy-3H-1-benzofuran-2-yl)ethanone
CID 53496008
N-[(3R,4S)-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-fluorobenzamide
CID 54520683
1-[(3S,4R)-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyrrolidin-2-one
CID 13151184
tert-butyl N-[(3S,4R)-6-chloro-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-3-yl]carbamate
CID 15743518
[(3S,4R)-6-chloro-2,2-dimethyl-4-(2-methyliminopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl] methanesulfonate
CID 139979988
2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 69058857
2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide
CID 54324465
(7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepin-5-yl) trifluoromethanesulfonate
CID 86653987
sodium [(4R)-6-chloro-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxysulfonylazanide
CID 140749008
5-chloro-1-[(3S,4R)-3-hydroxy-6-isocyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]indole-2,3-dione
CID 59514758
(4S)-6-chloro-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104949008

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide?
The IUPAC name of 2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide (CID 67598198) is 2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide.
What is the SMILES notation for 2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide?
The canonical SMILES for 2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide is CN(C)C(=O)C(N)(C1c2cc(Cl)ccc2OC(C)(C)C1O)S(C)(=O)=O.
What is the InChIKey of 2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide?
The InChIKey is WXLDPOCDNSLRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O5S/c1-15(2)13(20)12(10-8-9(17)6-7-11(10)24-15)16(18,25(5,22)23)14(21)19(3)4/h6-8,12-13,20H,18H2,1-5H3.
What are the key properties of 2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide?
2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide has a molecular weight of 390.89 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N,N-dimethyl-2-methylsulfonylacetamide is sourced from PubChem (CID 67598198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).