2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide

C15H21N5OS — CID 166237134

IUPAC2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide
SMILESCCCC(NC(=O)C(CC)Sc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C15H21N5OS/c1-3-8-12(14-17-19-20-18-14)16-15(21)13(4-2)22-11-9-6-5-7-10-11/h5-7,9-10,12-13H,3-4,8H2,1-2H3,(H,16,21)(H,17,18,19,20)
InChIKeyMCIGAMNKMAPHBT-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.73
Rot. Bonds8

About 2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide

2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide (PubChem CID 166237134) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide
PubChem CID166237134
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide
SMILESCCCC(NC(=O)C(CC)Sc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C15H21N5OS/c1-3-8-12(14-17-19-20-18-14)16-15(21)13(4-2)22-11-9-6-5-7-10-11/h5-7,9-10,12-13H,3-4,8H2,1-2H3,(H,16,21)(H,17,18,19,20)
InChIKeyMCIGAMNKMAPHBT-UHFFFAOYSA-N
XLogP2.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-phenylsulfanylbutanoylamino)propanoic acid
CID 119942887
3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride
CID 120611610
[3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid
CID 22626937
N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide
CID 97184162
2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
CID 71920445
(2R)-2-phenylsulfanylbutanoic acid
CID 10058517
N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide
CID 99775615
N-benzyl-2-phenylsulfanylbutanamide
CID 86913040
3-phenylsulfanylhexan-2-one
CID 11117277
N-[1-(2H-tetrazol-5-yl)butyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 71920455
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide
CID 99814771
2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
CID 99814772

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide?
The IUPAC name of 2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide (CID 166237134) is 2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide?
The canonical SMILES for 2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide is CCCC(NC(=O)C(CC)Sc1ccccc1)c1nn[nH]n1.
What is the InChIKey of 2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide?
The InChIKey is MCIGAMNKMAPHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-3-8-12(14-17-19-20-18-14)16-15(21)13(4-2)22-11-9-6-5-7-10-11/h5-7,9-10,12-13H,3-4,8H2,1-2H3,(H,16,21)(H,17,18,19,20).
What are the key properties of 2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide?
2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide has a molecular weight of 319.43 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide is sourced from PubChem (CID 166237134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).