N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide

C12H14BrN5OS — CID 2927291

IUPACN-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCCC(Sc1nnnn1C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H14BrN5OS/c1-3-10(20-12-15-16-17-18(12)2)11(19)14-9-6-4-8(13)5-7-9/h4-7,10H,3H2,1-2H3,(H,14,19)
InChIKeyGLPSURKKEVAYGJ-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.48
Rot. Bonds5

About N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide

N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide (PubChem CID 2927291) has the molecular formula C12H14BrN5OS and a molecular weight of 356.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide
PubChem CID2927291
Molecular FormulaC12H14BrN5OS
Molecular Weight356.25 g/mol
Exact Mass355.01
IUPAC NameN-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCCC(Sc1nnnn1C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H14BrN5OS/c1-3-10(20-12-15-16-17-18(12)2)11(19)14-9-6-4-8(13)5-7-9/h4-7,10H,3H2,1-2H3,(H,14,19)
InChIKeyGLPSURKKEVAYGJ-UHFFFAOYSA-N
XLogP2.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 980218
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
N-(4-bromophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
CID 980277
N-(4-bromo-2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2343370
Butanamide, N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)-N-phenyl-
CID 3062251
Butanamide, N-(4-(dimethylamino)phenyl)-4-((1-methyl-1H-tetrazol-5-yl)thio)-
CID 3062255
N-(4-Bromophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593620
2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 4813931
N-{3-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 650332
2-[(3-amino-1H-1,2,4-triazol-5-yl)thio]-N-(4-bromo-2-fluorophenyl)acetamide
CID 1265137
N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2380749

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The IUPAC name of N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide (CID 2927291) is N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The canonical SMILES for N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide is CCC(Sc1nnnn1C)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The InChIKey is GLPSURKKEVAYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5OS/c1-3-10(20-12-15-16-17-18(12)2)11(19)14-9-6-4-8(13)5-7-9/h4-7,10H,3H2,1-2H3,(H,14,19).
What are the key properties of N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide?
N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide has a molecular weight of 356.25 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide is sourced from PubChem (CID 2927291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).