N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide

C22H26N6O4S — CID 24519065

IUPACN-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CSc1nnnn1C(C)(C)C
InChIInChI=1S/C22H26N6O4S/c1-22(2,3)28-21(25-26-27-28)33-13-19(29)23-15-11-18(32-5)16(12-17(15)31-4)24-20(30)14-9-7-6-8-10-14/h6-12H,13H2,1-5H3,(H,23,29)(H,24,30)
InChIKeyCFMWBRFUVVIAFB-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.43
Rot. Bonds8

About N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide

N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide (PubChem CID 24519065) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide
PubChem CID24519065
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC NameN-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CSc1nnnn1C(C)(C)C
InChIInChI=1S/C22H26N6O4S/c1-22(2,3)28-21(25-26-27-28)33-13-19(29)23-15-11-18(32-5)16(12-17(15)31-4)24-20(30)14-9-7-6-8-10-14/h6-12H,13H2,1-5H3,(H,23,29)(H,24,30)
InChIKeyCFMWBRFUVVIAFB-UHFFFAOYSA-N
XLogP3.43
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 24649306
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 27045966
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 864272
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
CID 119679319
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
N-(2,4-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1081017
N-(2-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 1452360
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide
CID 46639092
N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide
CID 16614506

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide (CID 24519065) is N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CSc1nnnn1C(C)(C)C.
What is the InChIKey of N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide?
The InChIKey is CFMWBRFUVVIAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S/c1-22(2,3)28-21(25-26-27-28)33-13-19(29)23-15-11-18(32-5)16(12-17(15)31-4)24-20(30)14-9-7-6-8-10-14/h6-12H,13H2,1-5H3,(H,23,29)(H,24,30).
What are the key properties of N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide?
N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide has a molecular weight of 470.56 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 24519065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).