(2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide

C14H17BrN6O2 — CID 8598093

IUPAC(2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H17BrN6O2/c1-3-16-14(23)9(2)17-12(22)8-21-19-13(18-20-21)10-4-6-11(15)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,16,23)(H,17,22)/t9-/m0/s1
InChIKeyGBSUEAQZSIKKAS-VIFPVBQESA-N
MW381.23 g/mol
LogP0.74
Rot. Bonds6

About (2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide

(2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide (PubChem CID 8598093) has the molecular formula C14H17BrN6O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is (2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide
PubChem CID8598093
Molecular FormulaC14H17BrN6O2
Molecular Weight381.23 g/mol
Exact Mass380.06
IUPAC Name(2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H17BrN6O2/c1-3-16-14(23)9(2)17-12(22)8-21-19-13(18-20-21)10-4-6-11(15)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,16,23)(H,17,22)/t9-/m0/s1
InChIKeyGBSUEAQZSIKKAS-VIFPVBQESA-N
XLogP0.74
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 71944277
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7589146
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7589128
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8598098
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 95295934
3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide
CID 26625766
ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490370
2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 36982859
N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide
CID 3188668
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465586
N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465585
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
CID 7589262

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide (CID 8598093) is (2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide is CCNC(=O)[C@H](C)NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of (2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide?
The InChIKey is GBSUEAQZSIKKAS-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17BrN6O2/c1-3-16-14(23)9(2)17-12(22)8-21-19-13(18-20-21)10-4-6-11(15)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,16,23)(H,17,22)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide?
(2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide has a molecular weight of 381.23 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 8598093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).