N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C22H26N2O5S — CID 132668925

IUPACN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc2c(c1)C(NS(=O)(=O)c1ccc(N3CCCC3=O)cc1)CC(C)(C)O2
InChIInChI=1S/C22H26N2O5S/c1-22(2)14-19(18-13-16(28-3)8-11-20(18)29-22)23-30(26,27)17-9-6-15(7-10-17)24-12-4-5-21(24)25/h6-11,13,19,23H,4-5,12,14H2,1-3H3
InChIKeyOUUJJNNTQOFZRC-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.40
Rot. Bonds5

About N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 132668925) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID132668925
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc2c(c1)C(NS(=O)(=O)c1ccc(N3CCCC3=O)cc1)CC(C)(C)O2
InChIInChI=1S/C22H26N2O5S/c1-22(2)14-19(18-13-16(28-3)8-11-20(18)29-22)23-30(26,27)17-9-6-15(7-10-17)24-12-4-5-21(24)25/h6-11,13,19,23H,4-5,12,14H2,1-3H3
InChIKeyOUUJJNNTQOFZRC-UHFFFAOYSA-N
XLogP3.40
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide
CID 133161889
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100720962
3-benzyl-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100743312
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide
CID 131904157
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 99589244
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 100676288
methyl 5-[(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-2-methylbenzoate
CID 133202226
N-[5-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 100754686
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096887
3-ethyl-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 133230821

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 132668925) is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc2c(c1)C(NS(=O)(=O)c1ccc(N3CCCC3=O)cc1)CC(C)(C)O2.
What is the InChIKey of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is OUUJJNNTQOFZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-22(2)14-19(18-13-16(28-3)8-11-20(18)29-22)23-30(26,27)17-9-6-15(7-10-17)24-12-4-5-21(24)25/h6-11,13,19,23H,4-5,12,14H2,1-3H3.
What are the key properties of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 132668925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).