N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide

C16H17N5O2S — CID 95791899

IUPACN-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide
SMILESCC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1cccs1
InChIInChI=1S/C16H17N5O2S/c1-2-12(17-15(22)14-9-6-10-24-14)11-20-16(23)21(19-18-20)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,17,22)/t12-/m1/s1
InChIKeyRCVXDUGICPMYLD-GFCCVEGCSA-N
MW343.41 g/mol
LogP1.70
Rot. Bonds6

About N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide

N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide (PubChem CID 95791899) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide
PubChem CID95791899
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide
SMILESCC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1cccs1
InChIInChI=1S/C16H17N5O2S/c1-2-12(17-15(22)14-9-6-10-24-14)11-20-16(23)21(19-18-20)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,17,22)/t12-/m1/s1
InChIKeyRCVXDUGICPMYLD-GFCCVEGCSA-N
XLogP1.70
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminobutyl)-4-phenyltetrazol-5-one
CID 23607800
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 24572333
N-[(3R)-3-(thiophene-2-carbonylamino)pentyl]thiophene-2-carboxamide
CID 40625219
(2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide
CID 9379983
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206
N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide
CID 130638279
2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 17408499
1-octyl-4-phenyltetrazol-5-one
CID 15508327
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide
CID 71791101
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 122160147
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide (CID 95791899) is N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide is CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1cccs1.
What is the InChIKey of N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide?
The InChIKey is RCVXDUGICPMYLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-2-12(17-15(22)14-9-6-10-24-14)11-20-16(23)21(19-18-20)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,17,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide?
N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 95791899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).