2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide

C23H30N2O4S — CID 132668954

IUPAC2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
SMILESCc1cccc(N(C(C)C(=O)NC2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1
InChIInChI=1S/C23H30N2O4S/c1-15-8-7-9-18(12-15)25(30(6,27)28)17(3)22(26)24-20-14-23(4,5)29-21-11-10-16(2)13-19(20)21/h7-13,17,20H,14H2,1-6H3,(H,24,26)
InChIKeyWCXJKZSEKNQRFY-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.88
Rot. Bonds5

About 2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide

2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide (PubChem CID 132668954) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
PubChem CID132668954
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
SMILESCc1cccc(N(C(C)C(=O)NC2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1
InChIInChI=1S/C23H30N2O4S/c1-15-8-7-9-18(12-15)25(30(6,27)28)17(3)22(26)24-20-14-23(4,5)29-21-11-10-16(2)13-19(20)21/h7-13,17,20H,14H2,1-6H3,(H,24,26)
InChIKeyWCXJKZSEKNQRFY-UHFFFAOYSA-N
XLogP3.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 125044093
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 125042298
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 125049385
(2S)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 125052919
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132673839
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 95118270
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 132668988
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133162672
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132653309
(2S)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(N-methylsulfonyl-3-nitroanilino)propanamide
CID 125054865
2-(4-methoxyphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132655388
(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(N-methylsulfonylanilino)propanamide
CID 100758794

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide?
The IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide (CID 132668954) is 2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide is Cc1cccc(N(C(C)C(=O)NC2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide?
The InChIKey is WCXJKZSEKNQRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-15-8-7-9-18(12-15)25(30(6,27)28)17(3)22(26)24-20-14-23(4,5)29-21-11-10-16(2)13-19(20)21/h7-13,17,20H,14H2,1-6H3,(H,24,26).
What are the key properties of 2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide?
2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide has a molecular weight of 430.57 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide is sourced from PubChem (CID 132668954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).