[2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid

C14H19N5O5S — CID 135238859

IUPAC[2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid
SMILESCOc1ccc(CC(NC(=O)O)c2nnn(CCS(C)(=O)=O)n2)cc1
InChIInChI=1S/C14H19N5O5S/c1-24-11-5-3-10(4-6-11)9-12(15-14(20)21)13-16-18-19(17-13)7-8-25(2,22)23/h3-6,12,15H,7-9H2,1-2H3,(H,20,21)
InChIKeyHIGYSACMQPRHPU-UHFFFAOYSA-N
MW369.40 g/mol
LogP0.28
Rot. Bonds8

About [2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid

[2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid (PubChem CID 135238859) has the molecular formula C14H19N5O5S and a molecular weight of 369.40 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid
PubChem CID135238859
Molecular FormulaC14H19N5O5S
Molecular Weight369.40 g/mol
Exact Mass369.11
IUPAC Name[2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid
SMILESCOc1ccc(CC(NC(=O)O)c2nnn(CCS(C)(=O)=O)n2)cc1
InChIInChI=1S/C14H19N5O5S/c1-24-11-5-3-10(4-6-11)9-12(15-14(20)21)13-16-18-19(17-13)7-8-25(2,22)23/h3-6,12,15H,7-9H2,1-2H3,(H,20,21)
InChIKeyHIGYSACMQPRHPU-UHFFFAOYSA-N
XLogP0.28
TPSA136.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate
CID 175114027
1-(4-chlorophenyl)-3-[(1S)-2-(4-methoxyphenyl)-1-[1-(methylsulfonylmethyl)triazol-4-yl]ethyl]urea
CID 135255180
tert-butyl N-[(1S)-2-(4-cyanophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamate
CID 135255289
2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid
CID 746025
2-[5-[(2S,3R)-3-(4-methoxyphenyl)butan-2-yl]tetrazol-2-yl]ethanol
CID 160828405
[2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid
CID 121471468
methyl 3-amino-2-[(4-methoxyphenyl)methyl]-3-oxopropanoate
CID 174993577
methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
CID 523519
3-[4-[4-[2-hydroxy-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]phenyl]pyrazol-1-yl]propylcarbamic acid
CID 129250561
1-[(1S)-2-(4-cyanophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]-3-(4-fluorophenyl)urea
CID 135239009
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
1-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 91872022

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid?
The IUPAC name of [2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid (CID 135238859) is [2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid.
What is the SMILES notation for [2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid?
The canonical SMILES for [2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid is COc1ccc(CC(NC(=O)O)c2nnn(CCS(C)(=O)=O)n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid?
The InChIKey is HIGYSACMQPRHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O5S/c1-24-11-5-3-10(4-6-11)9-12(15-14(20)21)13-16-18-19(17-13)7-8-25(2,22)23/h3-6,12,15H,7-9H2,1-2H3,(H,20,21).
What are the key properties of [2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid?
[2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid has a molecular weight of 369.40 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid is sourced from PubChem (CID 135238859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).