N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide

C18H25N5O2S — CID 18098754

IUPACN-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)C(C)Sc2nnnn2C(C)(C)C)cc1
InChIInChI=1S/C18H25N5O2S/c1-6-7-15(24)19-14-10-8-13(9-11-14)16(25)12(2)26-17-20-21-22-23(17)18(3,4)5/h8-12H,6-7H2,1-5H3,(H,19,24)
InChIKeyFTLZJFWKBHIYIL-UHFFFAOYSA-N
MW375.50 g/mol
LogP3.53
Rot. Bonds7

About N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide

N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide (PubChem CID 18098754) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide
PubChem CID18098754
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)C(C)Sc2nnnn2C(C)(C)C)cc1
InChIInChI=1S/C18H25N5O2S/c1-6-7-15(24)19-14-10-8-13(9-11-14)16(25)12(2)26-17-20-21-22-23(17)18(3,4)5/h8-12H,6-7H2,1-5H3,(H,19,24)
InChIKeyFTLZJFWKBHIYIL-UHFFFAOYSA-N
XLogP3.53
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide
CID 25499681
2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(4-chlorophenyl)propan-1-one
CID 46638786
2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 46639134
(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide
CID 9379297
N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide
CID 29315538
butyl 4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
CID 55441352
N-[4-[2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]-2,2-dimethylpropanamide
CID 16570709
N-[4-[(2S)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propanoyl]phenyl]butanamide
CID 51935162
N-[4-[(2S)-2-[[4-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]butanamide
CID 136911758
4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide
CID 19629813
N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]acetamide
CID 112780355
N-[4-[2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]butanamide
CID 16560379

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide (CID 18098754) is N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)C(C)Sc2nnnn2C(C)(C)C)cc1.
What is the InChIKey of N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide?
The InChIKey is FTLZJFWKBHIYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-6-7-15(24)19-14-10-8-13(9-11-14)16(25)12(2)26-17-20-21-22-23(17)18(3,4)5/h8-12H,6-7H2,1-5H3,(H,19,24).
What are the key properties of N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide?
N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide has a molecular weight of 375.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide is sourced from PubChem (CID 18098754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).