N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

C18H18ClN5OS — CID 134717169

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCn1nnnc1SC(C(=O)NCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H18ClN5OS/c1-24-18(21-22-23-24)26-16(14-5-3-2-4-6-14)17(25)20-12-11-13-7-9-15(19)10-8-13/h2-10,16H,11-12H2,1H3,(H,20,25)
InChIKeyDWLHCRLEUGJRCJ-UHFFFAOYSA-N
MW387.90 g/mol
LogP3.06
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (PubChem CID 134717169) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
PubChem CID134717169
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCn1nnnc1SC(C(=O)NCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H18ClN5OS/c1-24-18(21-22-23-24)26-16(14-5-3-2-4-6-14)17(25)20-12-11-13-7-9-15(19)10-8-13/h2-10,16H,11-12H2,1H3,(H,20,25)
InChIKeyDWLHCRLEUGJRCJ-UHFFFAOYSA-N
XLogP3.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 40560909
N-[2-(4-chlorophenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetamide
CID 132908904
3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 47318483
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51234344
N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 132897669
N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 60598100
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 2630126
N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide
CID 62878231
(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 7042204
(2R)-N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 2460572
(2R)-N-(4-methyl-2-nitrophenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 7365292
4-chloro-N-[(1S)-3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpropyl]benzenesulfonamide
CID 27694961

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (CID 134717169) is N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is Cn1nnnc1SC(C(=O)NCCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The InChIKey is DWLHCRLEUGJRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5OS/c1-24-18(21-22-23-24)26-16(14-5-3-2-4-6-14)17(25)20-12-11-13-7-9-15(19)10-8-13/h2-10,16H,11-12H2,1H3,(H,20,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide has a molecular weight of 387.90 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 134717169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).