N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

C23H21ClN6O2S — CID 1251070

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C23H21ClN6O2S/c24-19-14-17(8-9-21(19)29-10-12-32-13-11-29)25-22(31)15-33-23-26-27-28-30(23)20-7-3-5-16-4-1-2-6-18(16)20/h1-9,14H,10-13,15H2,(H,25,31)
InChIKeyCVKVNTVSEVDOLX-UHFFFAOYSA-N
MW480.98 g/mol
LogP4.04
Rot. Bonds6

About N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 1251070) has the molecular formula C23H21ClN6O2S and a molecular weight of 480.98 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
PubChem CID1251070
Molecular FormulaC23H21ClN6O2S
Molecular Weight480.98 g/mol
Exact Mass480.11
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C23H21ClN6O2S/c24-19-14-17(8-9-21(19)29-10-12-32-13-11-29)25-22(31)15-33-23-26-27-28-30(23)20-7-3-5-16-4-1-2-6-18(16)20/h1-9,14H,10-13,15H2,(H,25,31)
InChIKeyCVKVNTVSEVDOLX-UHFFFAOYSA-N
XLogP4.04
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
4-({[1-(1-naphthyl)-1H-tetrazol-5-yl]thio}acetyl)morpholine
CID 1517492
1-Morpholin-4-yl-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 644422
N-[3-chloro-4-(4-morpholinyl)phenyl]-2-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1243523
N-[3-chloro-4-(4-morpholinyl)phenyl]-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 2193358
N-(2,4-dichlorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275096
1-(2-Chloroanilino)-3-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-propan-2-ol
CID 5275138
N-(2-morpholinophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275085
N-(2,3-dichlorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275093
N-(3-chloro-2-fluoro-phenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275094
N-(2-chloro-4-phenyl-phenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275100
N-(2,6-dichlorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275103

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (CID 1251070) is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is CVKVNTVSEVDOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O2S/c24-19-14-17(8-9-21(19)29-10-12-32-13-11-29)25-22(31)15-33-23-26-27-28-30(23)20-7-3-5-16-4-1-2-6-18(16)20/h1-9,14H,10-13,15H2,(H,25,31).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 480.98 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1251070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).