4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide

C15H23Cl2N3O3S — CID 78869791

IUPAC4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide
SMILESCN(C)CCCN(C(=O)c1cc(Cl)c(Cl)n1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H23Cl2N3O3S/c1-18(2)6-4-7-20(11-5-8-24(22,23)10-11)15(21)13-9-12(16)14(17)19(13)3/h9,11H,4-8,10H2,1-3H3
InChIKeyIYPOJSCKDGMGSE-UHFFFAOYSA-N
MW396.34 g/mol
LogP1.91
Rot. Bonds6

About 4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 78869791) has the molecular formula C15H23Cl2N3O3S and a molecular weight of 396.34 g/mol. Its IUPAC name is 4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide
PubChem CID78869791
Molecular FormulaC15H23Cl2N3O3S
Molecular Weight396.34 g/mol
Exact Mass395.08
IUPAC Name4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide
SMILESCN(C)CCCN(C(=O)c1cc(Cl)c(Cl)n1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H23Cl2N3O3S/c1-18(2)6-4-7-20(11-5-8-24(22,23)10-11)15(21)13-9-12(16)14(17)19(13)3/h9,11H,4-8,10H2,1-3H3
InChIKeyIYPOJSCKDGMGSE-UHFFFAOYSA-N
XLogP1.91
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide with MolForge

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Related Compounds

5-bromo-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-3-carboxamide
CID 78851999
5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 78824940
2-bromo-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 78824875
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-phenyltriazole-4-carboxamide
CID 78859501
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide
CID 78840941
(E)-3-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 78837656
2-[(4-chloro-1-methylpyrrole-2-carbonyl)-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 60843829
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-4-phenoxybenzamide
CID 78819601
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 78840940
4-bromo-N-butyl-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrrole-2-carboxamide
CID 55824875
4-chloro-N-[2-[(4-chlorobenzoyl)-(1,1-dioxothiolan-3-yl)amino]ethyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 102566638
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 60955727

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide (CID 78869791) is 4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide is CN(C)CCCN(C(=O)c1cc(Cl)c(Cl)n1C)C1CCS(=O)(=O)C1.
What is the InChIKey of 4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is IYPOJSCKDGMGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3O3S/c1-18(2)6-4-7-20(11-5-8-24(22,23)10-11)15(21)13-9-12(16)14(17)19(13)3/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 396.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 78869791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).