N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide

C14H19N5O3S — CID 125440530

IUPACN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
SMILESC[C@H](NC(=O)CCCn1cnnn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N5O3S/c1-11(12-5-7-13(8-6-12)23(2,21)22)16-14(20)4-3-9-19-10-15-17-18-19/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,20)/t11-/m0/s1
InChIKeyUSWBPNVSGFZXPS-NSHDSACASA-N
MW337.41 g/mol
LogP0.73
Rot. Bonds7

About N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide

N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 125440530) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
PubChem CID125440530
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
SMILESC[C@H](NC(=O)CCCn1cnnn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N5O3S/c1-11(12-5-7-13(8-6-12)23(2,21)22)16-14(20)4-3-9-19-10-15-17-18-19/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,20)/t11-/m0/s1
InChIKeyUSWBPNVSGFZXPS-NSHDSACASA-N
XLogP0.73
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125440529
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 122559378
N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 42905640
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125439324
N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 95282708
N-[1-(4-methylsulfonylphenyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 24552127
N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 118796031
3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 18096269
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40938284
2-(azocan-1-yl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 125442415

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide (CID 125440530) is N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide is C[C@H](NC(=O)CCCn1cnnn1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is USWBPNVSGFZXPS-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-11(12-5-7-13(8-6-12)23(2,21)22)16-14(20)4-3-9-19-10-15-17-18-19/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide?
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 337.41 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 125440530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).