N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

C17H25N5O4S — CID 17486744

IUPACN-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)CSc2nnnn2C(C)C)c(OC)c1OC
InChIInChI=1S/C17H25N5O4S/c1-11(2)22-17(18-19-20-22)27-10-14(23)21(3)9-12-7-8-13(24-4)16(26-6)15(12)25-5/h7-8,11H,9-10H2,1-6H3
InChIKeyYDNOWRBNOMBZQD-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.03
Rot. Bonds9

About N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (PubChem CID 17486744) has the molecular formula C17H25N5O4S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
PubChem CID17486744
Molecular FormulaC17H25N5O4S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC NameN-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)CSc2nnnn2C(C)C)c(OC)c1OC
InChIInChI=1S/C17H25N5O4S/c1-11(2)22-17(18-19-20-22)27-10-14(23)21(3)9-12-7-8-13(24-4)16(26-6)15(12)25-5/h7-8,11H,9-10H2,1-6H3
InChIKeyYDNOWRBNOMBZQD-UHFFFAOYSA-N
XLogP2.03
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 24523120
1-(3-fluoro-4-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
CID 18099148
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 24573540
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51259319
N-(2-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 1452360
N-(5-chloro-2-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 26428388
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 24639617
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 4791616
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 38132443
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24573689
2-hydroxy-N-propan-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 24860184
N-benzyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 18077306

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (CID 17486744) is N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is COc1ccc(CN(C)C(=O)CSc2nnnn2C(C)C)c(OC)c1OC.
What is the InChIKey of N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The InChIKey is YDNOWRBNOMBZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S/c1-11(2)22-17(18-19-20-22)27-10-14(23)21(3)9-12-7-8-13(24-4)16(26-6)15(12)25-5/h7-8,11H,9-10H2,1-6H3.
What are the key properties of N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide has a molecular weight of 395.49 g/mol, XLogP of 2.03, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 17486744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).