(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide

C23H30N2O5S — CID 125044093

IUPAC(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
SMILESCOc1cccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1
InChIInChI=1S/C23H30N2O5S/c1-15-10-11-21-19(12-15)20(14-23(3,4)30-21)24-22(26)16(2)25(31(6,27)28)17-8-7-9-18(13-17)29-5/h7-13,16,20H,14H2,1-6H3,(H,24,26)/t16-,20+/m1/s1
InChIKeyBAPNNMOPKCQQNJ-UZLBHIALSA-N
MW446.57 g/mol
LogP3.58
Rot. Bonds6

About (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide

(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide (PubChem CID 125044093) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
PubChem CID125044093
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
SMILESCOc1cccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1
InChIInChI=1S/C23H30N2O5S/c1-15-10-11-21-19(12-15)20(14-23(3,4)30-21)24-22(26)16(2)25(31(6,27)28)17-8-7-9-18(13-17)29-5/h7-13,16,20H,14H2,1-6H3,(H,24,26)/t16-,20+/m1/s1
InChIKeyBAPNNMOPKCQQNJ-UZLBHIALSA-N
XLogP3.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132668954
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 125042298
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133162672
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 125049385
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132673839
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
2-(4-methoxyphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132655388
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892441
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
(2S)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 125052919
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 125044127
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132656635

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The IUPAC name of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide (CID 125044093) is (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide.
What is the SMILES notation for (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The canonical SMILES for (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide is COc1cccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The InChIKey is BAPNNMOPKCQQNJ-UZLBHIALSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-15-10-11-21-19(12-15)20(14-23(3,4)30-21)24-22(26)16(2)25(31(6,27)28)17-8-7-9-18(13-17)29-5/h7-13,16,20H,14H2,1-6H3,(H,24,26)/t16-,20+/m1/s1.
What are the key properties of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide has a molecular weight of 446.57 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide is sourced from PubChem (CID 125044093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).