N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide

C18H19N5O2S — CID 99940406

IUPACN-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(c1ccc(-n2cnnn2)cc1)N(Cc1ccsc1)C[C@@H]1CCCO1
InChIInChI=1S/C18H19N5O2S/c24-18(15-3-5-16(6-4-15)23-13-19-20-21-23)22(10-14-7-9-26-12-14)11-17-2-1-8-25-17/h3-7,9,12-13,17H,1-2,8,10-11H2/t17-/m0/s1
InChIKeyMRZWRWPARCCSIA-KRWDZBQOSA-N
MW369.45 g/mol
LogP2.55
Rot. Bonds6

About N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide

N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 99940406) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide
PubChem CID99940406
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(c1ccc(-n2cnnn2)cc1)N(Cc1ccsc1)C[C@@H]1CCCO1
InChIInChI=1S/C18H19N5O2S/c24-18(15-3-5-16(6-4-15)23-13-19-20-21-23)22(10-14-7-9-26-12-14)11-17-2-1-8-25-17/h3-7,9,12-13,17H,1-2,8,10-11H2/t17-/m0/s1
InChIKeyMRZWRWPARCCSIA-KRWDZBQOSA-N
XLogP2.55
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
CID 56912083
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 99930542
2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide
CID 131909854
N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95146887
6-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide
CID 50981472
1-[[(2S)-oxolan-2-yl]methyl]-3-(2-pyridin-4-ylethyl)-1-(thiophen-3-ylmethyl)urea
CID 126450055
3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 55735949
1,3-dimethyl-2,6-dioxo-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyrimidine-4-carboxamide
CID 72921658
3-(1-methyltetrazol-5-yl)sulfanyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)propanamide
CID 46986614
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 97186747
1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea
CID 72912485
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 95303165

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide (CID 99940406) is N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide is O=C(c1ccc(-n2cnnn2)cc1)N(Cc1ccsc1)C[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is MRZWRWPARCCSIA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-18(15-3-5-16(6-4-15)23-13-19-20-21-23)22(10-14-7-9-26-12-14)11-17-2-1-8-25-17/h3-7,9,12-13,17H,1-2,8,10-11H2/t17-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide?
N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 369.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 99940406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).