N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

C20H22N6O2S — CID 7762487

IUPACN,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C20H22N6O2S/c1-3-25(4-2)19(28)15-10-12-16(13-11-15)21-18(27)14-29-20-22-23-24-26(20)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,21,27)
InChIKeyGQVBCYMTOKBMBM-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.88
Rot. Bonds8

About N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (PubChem CID 7762487) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
PubChem CID7762487
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC NameN,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C20H22N6O2S/c1-3-25(4-2)19(28)15-10-12-16(13-11-15)21-18(27)14-29-20-22-23-24-26(20)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,21,27)
InChIKeyGQVBCYMTOKBMBM-UHFFFAOYSA-N
XLogP2.88
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
methyl 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate
CID 1323060
4-[[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid
CID 16649170
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 3912516
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
N,N-diethyl-4-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 55320360
N-[4-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]propanamide
CID 43811703
4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 9073713
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1455250
N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide
CID 31662428

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (CID 7762487) is N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is GQVBCYMTOKBMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-3-25(4-2)19(28)15-10-12-16(13-11-15)21-18(27)14-29-20-22-23-24-26(20)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,21,27).
What are the key properties of N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 410.50 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 7762487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).