N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide

C17H23N3O5S — CID 71449009

IUPACN-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCN(C(=O)CNC(=O)CNC(=O)c1ccccc1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C17H23N3O5S/c1-20(14-7-9-26(24,25)10-8-14)16(22)12-18-15(21)11-19-17(23)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,21)(H,19,23)
InChIKeyALQMCBWXSSJZAS-UHFFFAOYSA-N
MW381.45 g/mol
LogP-0.43
Rot. Bonds6

About N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide

N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 71449009) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID71449009
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCN(C(=O)CNC(=O)CNC(=O)c1ccccc1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C17H23N3O5S/c1-20(14-7-9-26(24,25)10-8-14)16(22)12-18-15(21)11-19-17(23)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,21)(H,19,23)
InChIKeyALQMCBWXSSJZAS-UHFFFAOYSA-N
XLogP-0.43
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide
CID 66185921
N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 71449031
2-(1,3-benzodioxol-5-yl)-N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]acetamide
CID 71449018
N-[2-[methyl(piperidin-3-yl)amino]-2-oxoethyl]benzamide
CID 60807055
N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 47128707
N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51238277
N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide
CID 47412407
N-(1,1-dioxothiolan-3-yl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-methylacetamide
CID 112993812
4-amino-N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]benzamide
CID 43213215
N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide
CID 9082212
2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110687013
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112993811

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 71449009) is N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide is CN(C(=O)CNC(=O)CNC(=O)c1ccccc1)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is ALQMCBWXSSJZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-20(14-7-9-26(24,25)10-8-14)16(22)12-18-15(21)11-19-17(23)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,21)(H,19,23).
What are the key properties of N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 381.45 g/mol, XLogP of -0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 71449009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).