N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide

C17H20Cl2N4O5S — CID 24510909

IUPACN-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H20Cl2N4O5S/c1-4-7-23(10-15(24)20-13-8-11(18)5-6-12(13)19)29(27,28)14-9-21(2)17(26)22(3)16(14)25/h5-6,8-9H,4,7,10H2,1-3H3,(H,20,24)
InChIKeySFCCPQCXBWFYLA-UHFFFAOYSA-N
MW463.34 g/mol
LogP1.43
Rot. Bonds7

About N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide

N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide (PubChem CID 24510909) has the molecular formula C17H20Cl2N4O5S and a molecular weight of 463.34 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide
PubChem CID24510909
Molecular FormulaC17H20Cl2N4O5S
Molecular Weight463.34 g/mol
Exact Mass462.05
IUPAC NameN-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H20Cl2N4O5S/c1-4-7-23(10-15(24)20-13-8-11(18)5-6-12(13)19)29(27,28)14-9-21(2)17(26)22(3)16(14)25/h5-6,8-9H,4,7,10H2,1-3H3,(H,20,24)
InChIKeySFCCPQCXBWFYLA-UHFFFAOYSA-N
XLogP1.43
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide with MolForge

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Related Compounds

N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide
CID 2538512
N-(2,5-dichlorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016543
N-(2,5-dichlorophenyl)-2-[(2-methyl-6-nitrophenyl)sulfonyl-propylamino]acetamide
CID 60538409
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
2-[(2-chloro-4-methylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675529
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
3-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986545
N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 56792887
N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136983
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
CID 56538621
N-(2,5-dichlorophenyl)hexanamide
CID 5055577

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide (CID 24510909) is N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide?
The InChIKey is SFCCPQCXBWFYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O5S/c1-4-7-23(10-15(24)20-13-8-11(18)5-6-12(13)19)29(27,28)14-9-21(2)17(26)22(3)16(14)25/h5-6,8-9H,4,7,10H2,1-3H3,(H,20,24).
What are the key properties of N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide?
N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide has a molecular weight of 463.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide is sourced from PubChem (CID 24510909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).