(2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide

C18H27N5OS — CID 9002694

IUPAC(2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide
SMILESCc1cc(C)cc(-n2nnnc2S[C@H](C)C(=O)N(C(C)C)C(C)C)c1
InChIInChI=1S/C18H27N5OS/c1-11(2)22(12(3)4)17(24)15(7)25-18-19-20-21-23(18)16-9-13(5)8-14(6)10-16/h8-12,15H,1-7H3/t15-/m1/s1
InChIKeyWXLAWPIEUAUSME-OAHLLOKOSA-N
MW361.52 g/mol
LogP3.41
Rot. Bonds6

About (2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide

(2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide (PubChem CID 9002694) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is (2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide
PubChem CID9002694
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name(2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide
SMILESCc1cc(C)cc(-n2nnnc2S[C@H](C)C(=O)N(C(C)C)C(C)C)c1
InChIInChI=1S/C18H27N5OS/c1-11(2)22(12(3)4)17(24)15(7)25-18-19-20-21-23(18)16-9-13(5)8-14(6)10-16/h8-12,15H,1-7H3/t15-/m1/s1
InChIKeyWXLAWPIEUAUSME-OAHLLOKOSA-N
XLogP3.41
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 8827755
(2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8827394
(2S)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 9002573
N'-[(2S)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide
CID 9066432
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 8827702
(2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate
CID 9484215
(2S)-N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8915829
(2S)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N,N-dimethylpropanamide
CID 8860177
(2S)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 9002642
4-[(2S)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 8828742
(2S)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 41312479

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide (CID 9002694) is (2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide is Cc1cc(C)cc(-n2nnnc2S[C@H](C)C(=O)N(C(C)C)C(C)C)c1.
What is the InChIKey of (2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide?
The InChIKey is WXLAWPIEUAUSME-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-11(2)22(12(3)4)17(24)15(7)25-18-19-20-21-23(18)16-9-13(5)8-14(6)10-16/h8-12,15H,1-7H3/t15-/m1/s1.
What are the key properties of (2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide?
(2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide has a molecular weight of 361.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 9002694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).