N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide

C20H21N5OS — CID 24590710

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C20H21N5OS/c26-19(10-5-13-27-18-8-2-1-3-9-18)21-16-7-4-6-15(14-16)20-22-23-24-25(20)17-11-12-17/h1-4,6-9,14,17H,5,10-13H2,(H,21,26)
InChIKeyIZICCMZMZNIWSG-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.19
Rot. Bonds8

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide (PubChem CID 24590710) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide
PubChem CID24590710
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C20H21N5OS/c26-19(10-5-13-27-18-8-2-1-3-9-18)21-16-7-4-6-15(14-16)20-22-23-24-25(20)17-11-12-17/h1-4,6-9,14,17H,5,10-13H2,(H,21,26)
InChIKeyIZICCMZMZNIWSG-UHFFFAOYSA-N
XLogP4.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 24590707
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949263
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide
CID 17455277
(3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
CID 41263869
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 41181268
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluorophenoxy)propanamide
CID 39675295
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 41293386
N-[4-[3-(1-cyclopropyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 17496031

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide (CID 24590710) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide is O=C(CCCSc1ccccc1)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide?
The InChIKey is IZICCMZMZNIWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-19(10-5-13-27-18-8-2-1-3-9-18)21-16-7-4-6-15(14-16)20-22-23-24-25(20)17-11-12-17/h1-4,6-9,14,17H,5,10-13H2,(H,21,26).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide has a molecular weight of 379.49 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide is sourced from PubChem (CID 24590710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).