N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide

C22H19N7O2S — CID 55523727

IUPACN-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C22H19N7O2S/c23-22(31)25-16-12-10-15(11-13-16)24-21(30)18-8-4-5-9-19(18)32-14-20-26-27-28-29(20)17-6-2-1-3-7-17/h1-13H,14H2,(H,24,30)(H3,23,25,31)
InChIKeyGGDFCUIRPREYGC-UHFFFAOYSA-N
MW445.51 g/mol
LogP3.70
Rot. Bonds7

About N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide

N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55523727) has the molecular formula C22H19N7O2S and a molecular weight of 445.51 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
PubChem CID55523727
Molecular FormulaC22H19N7O2S
Molecular Weight445.51 g/mol
Exact Mass445.13
IUPAC NameN-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C22H19N7O2S/c23-22(31)25-16-12-10-15(11-13-16)24-21(30)18-8-4-5-9-19(18)32-14-20-26-27-28-29(20)17-6-2-1-3-7-17/h1-13H,14H2,(H,24,30)(H3,23,25,31)
InChIKeyGGDFCUIRPREYGC-UHFFFAOYSA-N
XLogP3.70
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55967239
N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405761
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55961384
N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55406223
N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 51217100
N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405666
N-(5-benzyl-1,3-thiazol-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 112795860
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55678109
N-[(1-methylbenzimidazol-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55494907
N-[(2R)-2-(ethylamino)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 120654010
N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55556542
N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55964665

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (CID 55523727) is N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is NC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is GGDFCUIRPREYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2S/c23-22(31)25-16-12-10-15(11-13-16)24-21(30)18-8-4-5-9-19(18)32-14-20-26-27-28-29(20)17-6-2-1-3-7-17/h1-13H,14H2,(H,24,30)(H3,23,25,31).
What are the key properties of N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 445.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55523727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).