(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

C16H14ClN5O2S — CID 40560909

IUPAC(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCn1nnnc1S[C@@H](C(=O)Nc1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C16H14ClN5O2S/c1-22-16(19-20-21-22)25-14(10-5-3-2-4-6-10)15(24)18-12-9-11(17)7-8-13(12)23/h2-9,14,23H,1H3,(H,18,24)/t14-/m1/s1
InChIKeyRBPKNJVQHQGQEL-CQSZACIVSA-N
MW375.84 g/mol
LogP3.04
Rot. Bonds5

About (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (PubChem CID 40560909) has the molecular formula C16H14ClN5O2S and a molecular weight of 375.84 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
PubChem CID40560909
Molecular FormulaC16H14ClN5O2S
Molecular Weight375.84 g/mol
Exact Mass375.06
IUPAC Name(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCn1nnnc1S[C@@H](C(=O)Nc1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C16H14ClN5O2S/c1-22-16(19-20-21-22)25-14(10-5-3-2-4-6-10)15(24)18-12-9-11(17)7-8-13(12)23/h2-9,14,23H,1H3,(H,18,24)/t14-/m1/s1
InChIKeyRBPKNJVQHQGQEL-CQSZACIVSA-N
XLogP3.04
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 134717169
(2R)-N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 2460572
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 2630126
(2R)-N-(4-methyl-2-nitrophenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 7365292
N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 132897669
1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea
CID 108867456
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 41001197
N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 60598100
(2R)-N-(5-chloro-2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1371327
N-(2,5-dimethylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 46648718
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621115
N-(5-chloro-2-hydroxyphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3663323

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (CID 40560909) is (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is Cn1nnnc1S[C@@H](C(=O)Nc1cc(Cl)ccc1O)c1ccccc1.
What is the InChIKey of (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The InChIKey is RBPKNJVQHQGQEL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14ClN5O2S/c1-22-16(19-20-21-22)25-14(10-5-3-2-4-6-10)15(24)18-12-9-11(17)7-8-13(12)23/h2-9,14,23H,1H3,(H,18,24)/t14-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide has a molecular weight of 375.84 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 40560909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).