N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide

C18H20N6O4S — CID 25049417

IUPACN-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C18H20N6O4S/c1-4-24-18(20-22-23-24)13-5-10-16(28-3)17(11-13)29(26,27)21-15-8-6-14(7-9-15)19-12(2)25/h5-11,21H,4H2,1-3H3,(H,19,25)
InChIKeyMWEWJLYQXQJMEZ-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.13
Rot. Bonds7

About N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide

N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide (PubChem CID 25049417) has the molecular formula C18H20N6O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide
PubChem CID25049417
Molecular FormulaC18H20N6O4S
Molecular Weight416.46 g/mol
Exact Mass416.13
IUPAC NameN-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C18H20N6O4S/c1-4-24-18(20-22-23-24)13-5-10-16(28-3)17(11-13)29(26,27)21-15-8-6-14(7-9-15)19-12(2)25/h5-11,21H,4H2,1-3H3,(H,19,25)
InChIKeyMWEWJLYQXQJMEZ-UHFFFAOYSA-N
XLogP2.13
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide with MolForge

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Related Compounds

ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate
CID 1204216
1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine
CID 23938829
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133157
N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17404307
N-[4-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133073
N-[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 110757886
2-methoxy-5-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720262
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 53094837
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710
N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
CID 53133245

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide (CID 25049417) is N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide is CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide?
The InChIKey is MWEWJLYQXQJMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S/c1-4-24-18(20-22-23-24)13-5-10-16(28-3)17(11-13)29(26,27)21-15-8-6-14(7-9-15)19-12(2)25/h5-11,21H,4H2,1-3H3,(H,19,25).
What are the key properties of N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide?
N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide has a molecular weight of 416.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 25049417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).