2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide

C24H29N3O4S — CID 20936132

IUPAC2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCC1CCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C24H29N3O4S/c1-17-4-6-19(7-5-17)15-27-11-10-20(16-27)14-25-32(28,29)24-13-21(8-9-22(24)30-3)23-12-18(2)26-31-23/h4-9,12-13,20,25H,10-11,14-16H2,1-3H3
InChIKeyHXAGVQSQYIVASC-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.77
Rot. Bonds8

About 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide

2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide (PubChem CID 20936132) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide
PubChem CID20936132
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCC1CCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C24H29N3O4S/c1-17-4-6-19(7-5-17)15-27-11-10-20(16-27)14-25-32(28,29)24-13-21(8-9-22(24)30-3)23-12-18(2)26-31-23/h4-9,12-13,20,25H,10-11,14-16H2,1-3H3
InChIKeyHXAGVQSQYIVASC-UHFFFAOYSA-N
XLogP3.77
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 20936312
N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936121
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 20936139
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53009437
5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887983
2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888118
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 20934938
2-methoxy-5-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640333
N-[(4-methoxyphenyl)methyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934937
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53054209
2-methyl-4-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53094982
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide (CID 20936132) is 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide is COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCC1CCN(Cc2ccc(C)cc2)C1.
What is the InChIKey of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is HXAGVQSQYIVASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-17-4-6-19(7-5-17)15-27-11-10-20(16-27)14-25-32(28,29)24-13-21(8-9-22(24)30-3)23-12-18(2)26-31-23/h4-9,12-13,20,25H,10-11,14-16H2,1-3H3.
What are the key properties of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide?
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 455.58 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 20936132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).