(2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide

C17H24N6O2S — CID 7455452

IUPAC(2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide
SMILESCCCCc1ccc(-n2nnnc2S[C@@H](C(=O)NC(N)=O)C(C)C)cc1
InChIInChI=1S/C17H24N6O2S/c1-4-5-6-12-7-9-13(10-8-12)23-17(20-21-22-23)26-14(11(2)3)15(24)19-16(18)25/h7-11,14H,4-6H2,1-3H3,(H3,18,19,24,25)/t14-/m1/s1
InChIKeyDBZXIAHBMXJPRK-CQSZACIVSA-N
MW376.49 g/mol
LogP2.32
Rot. Bonds8

About (2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide

(2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide (PubChem CID 7455452) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is (2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide
PubChem CID7455452
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name(2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide
SMILESCCCCc1ccc(-n2nnnc2S[C@@H](C(=O)NC(N)=O)C(C)C)cc1
InChIInChI=1S/C17H24N6O2S/c1-4-5-6-12-7-9-13(10-8-12)23-17(20-21-22-23)26-14(11(2)3)15(24)19-16(18)25/h7-11,14H,4-6H2,1-3H3,(H3,18,19,24,25)/t14-/m1/s1
InChIKeyDBZXIAHBMXJPRK-CQSZACIVSA-N
XLogP2.32
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-carbamoyl-3-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbutanamide
CID 9407764
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306550
(2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanophenyl)propanamide
CID 9267593
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 9360238
(2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide
CID 27046259
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 46618453
1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7856915
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112780364
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 112780362
N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 9360183
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 16535874
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 16535892

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide?
The IUPAC name of (2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide (CID 7455452) is (2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide?
The canonical SMILES for (2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide is CCCCc1ccc(-n2nnnc2S[C@@H](C(=O)NC(N)=O)C(C)C)cc1.
What is the InChIKey of (2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide?
The InChIKey is DBZXIAHBMXJPRK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-4-5-6-12-7-9-13(10-8-12)23-17(20-21-22-23)26-14(11(2)3)15(24)19-16(18)25/h7-11,14H,4-6H2,1-3H3,(H3,18,19,24,25)/t14-/m1/s1.
What are the key properties of (2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide?
(2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide has a molecular weight of 376.49 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide is sourced from PubChem (CID 7455452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).