2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide

C19H22N4O4S — CID 42896591

IUPAC2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide
SMILESCOc1ccc(NC(C)c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H22N4O4S/c1-13(18-21-22-19(27-18)14-8-6-5-7-9-14)20-15-10-11-16(26-4)17(12-15)28(24,25)23(2)3/h5-13,20H,1-4H3
InChIKeyXKSFCBPAAMJVRK-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.17
Rot. Bonds7

About 2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide

2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide (PubChem CID 42896591) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide
PubChem CID42896591
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide
SMILESCOc1ccc(NC(C)c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H22N4O4S/c1-13(18-21-22-19(27-18)14-8-6-5-7-9-14)20-15-10-11-16(26-4)17(12-15)28(24,25)23(2)3/h5-13,20H,1-4H3
InChIKeyXKSFCBPAAMJVRK-UHFFFAOYSA-N
XLogP3.17
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329403
N-[4-methoxy-3-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]phenyl]acetamide
CID 55431879
4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 134032596
N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329728
N-methyl-N-[4-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]phenyl]acetamide
CID 71936171
2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
CID 60542358
4-methyl-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 41036756
6-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-4H-1,4-benzoxazin-3-one
CID 32968497
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxyaniline
CID 22432817
N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 32509192
4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25343436
2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098161

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide (CID 42896591) is 2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide is COc1ccc(NC(C)c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide?
The InChIKey is XKSFCBPAAMJVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-13(18-21-22-19(27-18)14-8-6-5-7-9-14)20-15-10-11-16(26-4)17(12-15)28(24,25)23(2)3/h5-13,20H,1-4H3.
What are the key properties of 2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide?
2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide has a molecular weight of 402.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 42896591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).