N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C16H20N2O4S — CID 51927549

IUPACN-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc([C@@H](NS(=O)(=O)c2c(C)noc2C)C2CC2)cc1
InChIInChI=1S/C16H20N2O4S/c1-10-16(11(2)22-17-10)23(19,20)18-15(12-4-5-12)13-6-8-14(21-3)9-7-13/h6-9,12,15,18H,4-5H2,1-3H3/t15-/m0/s1
InChIKeyPBKANMACZJIIIK-HNNXBMFYSA-N
MW336.41 g/mol
LogP2.73
Rot. Bonds6

About N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 51927549) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID51927549
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc([C@@H](NS(=O)(=O)c2c(C)noc2C)C2CC2)cc1
InChIInChI=1S/C16H20N2O4S/c1-10-16(11(2)22-17-10)23(19,20)18-15(12-4-5-12)13-6-8-14(21-3)9-7-13/h6-9,12,15,18H,4-5H2,1-3H3/t15-/m0/s1
InChIKeyPBKANMACZJIIIK-HNNXBMFYSA-N
XLogP2.73
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691804
N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 64593325
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 74229543
1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide
CID 99822647
2-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanesulfonamide
CID 107650887
N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 134017722
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108563474
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6975865
N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 31583328
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[4-(4-methoxyphenyl)butyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288844

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 51927549) is N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1ccc([C@@H](NS(=O)(=O)c2c(C)noc2C)C2CC2)cc1.
What is the InChIKey of N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is PBKANMACZJIIIK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-10-16(11(2)22-17-10)23(19,20)18-15(12-4-5-12)13-6-8-14(21-3)9-7-13/h6-9,12,15,18H,4-5H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 336.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 51927549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).