N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide

C18H20N4O4S — CID 37329403

IUPACN-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
SMILESCOc1ccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H20N4O4S/c1-12(17-20-21-18(26-17)13-7-5-4-6-8-13)19-14-9-10-16(25-2)15(11-14)22-27(3,23)24/h4-12,19,22H,1-3H3/t12-/m0/s1
InChIKeyLTOHJTCWXKKDPP-LBPRGKRZSA-N
MW388.45 g/mol
LogP3.29
Rot. Bonds7

About N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide

N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide (PubChem CID 37329403) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
PubChem CID37329403
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
SMILESCOc1ccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H20N4O4S/c1-12(17-20-21-18(26-17)13-7-5-4-6-8-13)19-14-9-10-16(25-2)15(11-14)22-27(3,23)24/h4-12,19,22H,1-3H3/t12-/m0/s1
InChIKeyLTOHJTCWXKKDPP-LBPRGKRZSA-N
XLogP3.29
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
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-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329728
N-[4-methoxy-3-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]phenyl]acetamide
CID 55431879
2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide
CID 42896591
4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 134032596
4-methyl-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 41036756
2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
CID 60542358
2-methoxy-5-methyl-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 40940269
(2R)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
CID 51725386
(2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
CID 51725387
(2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide
CID 37329441
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

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide (CID 37329403) is N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide is COc1ccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide?
The InChIKey is LTOHJTCWXKKDPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-12(17-20-21-18(26-17)13-7-5-4-6-8-13)19-14-9-10-16(25-2)15(11-14)22-27(3,23)24/h4-12,19,22H,1-3H3/t12-/m0/s1.
What are the key properties of N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide?
N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 37329403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).