3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide

C17H18N6O4S — CID 43037177

IUPAC3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)C(=O)Cn2nnn(-c3cccs3)c2=O)cc1
InChIInChI=1S/C17H18N6O4S/c1-27-13-6-4-12(5-7-13)21(9-8-14(18)24)15(25)11-22-17(26)23(20-19-22)16-3-2-10-28-16/h2-7,10H,8-9,11H2,1H3,(H2,18,24)
InChIKeyTWQIGSBWNBASHQ-UHFFFAOYSA-N
MW402.44 g/mol
LogP0.41
Rot. Bonds8

About 3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide

3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide (PubChem CID 43037177) has the molecular formula C17H18N6O4S and a molecular weight of 402.44 g/mol. Its IUPAC name is 3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide
PubChem CID43037177
Molecular FormulaC17H18N6O4S
Molecular Weight402.44 g/mol
Exact Mass402.11
IUPAC Name3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)C(=O)Cn2nnn(-c3cccs3)c2=O)cc1
InChIInChI=1S/C17H18N6O4S/c1-27-13-6-4-12(5-7-13)21(9-8-14(18)24)15(25)11-22-17(26)23(20-19-22)16-3-2-10-28-16/h2-7,10H,8-9,11H2,1H3,(H2,18,24)
InChIKeyTWQIGSBWNBASHQ-UHFFFAOYSA-N
XLogP0.41
TPSA125.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-yltetrazol-5-one
CID 17454122
3-(N-[2-(1-benzyltetrazol-5-yl)sulfanylacetyl]-4-methoxyanilino)propanamide
CID 24574097
1-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-4-thiophen-2-yltetrazol-5-one
CID 9240734
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 43037168
3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
CID 17419390
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one
CID 17452027
3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide
CID 99164681
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131472
1-[(5-chloro-2-methoxyphenyl)methyl]-4-thiophen-2-yltetrazol-5-one
CID 43037174
3-(N-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxyanilino)propanamide
CID 24573541
3-(N-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-4-methoxyanilino)propanamide
CID 24528153
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 16580689

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide?
The IUPAC name of 3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide (CID 43037177) is 3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide.
What is the SMILES notation for 3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide?
The canonical SMILES for 3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide is COc1ccc(N(CCC(N)=O)C(=O)Cn2nnn(-c3cccs3)c2=O)cc1.
What is the InChIKey of 3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide?
The InChIKey is TWQIGSBWNBASHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4S/c1-27-13-6-4-12(5-7-13)21(9-8-14(18)24)15(25)11-22-17(26)23(20-19-22)16-3-2-10-28-16/h2-7,10H,8-9,11H2,1H3,(H2,18,24).
What are the key properties of 3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide?
3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide has a molecular weight of 402.44 g/mol, XLogP of 0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide is sourced from PubChem (CID 43037177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).