N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide

C20H25ClN4O4S — CID 53079098

IUPACN-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide
SMILESCC1CCN(C(=O)c2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)c[nH]2)CC1
InChIInChI=1S/C20H25ClN4O4S/c1-14-7-9-25(10-8-14)20(27)18-11-17(12-22-18)30(28,29)24(2)13-19(26)23-16-5-3-15(21)4-6-16/h3-6,11-12,14,22H,7-10,13H2,1-2H3,(H,23,26)
InChIKeyLFNWSZQTYCPXAZ-UHFFFAOYSA-N
MW452.96 g/mol
LogP2.80
Rot. Bonds6

About N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide

N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide (PubChem CID 53079098) has the molecular formula C20H25ClN4O4S and a molecular weight of 452.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide
PubChem CID53079098
Molecular FormulaC20H25ClN4O4S
Molecular Weight452.96 g/mol
Exact Mass452.13
IUPAC NameN-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide
SMILESCC1CCN(C(=O)c2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)c[nH]2)CC1
InChIInChI=1S/C20H25ClN4O4S/c1-14-7-9-25(10-8-14)20(27)18-11-17(12-22-18)30(28,29)24(2)13-19(26)23-16-5-3-15(21)4-6-16/h3-6,11-12,14,22H,7-10,13H2,1-2H3,(H,23,26)
InChIKeyLFNWSZQTYCPXAZ-UHFFFAOYSA-N
XLogP2.80
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]-N-(2-methylphenyl)acetamide
CID 53079108
N-(4-methylphenyl)-2-[methyl-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide
CID 35327351
N-cyclohexyl-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide
CID 53079100
N-(3-methylphenyl)-2-[methyl-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide
CID 53079075
2-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl-methylamino]-N-(3-bromophenyl)acetamide
CID 53079146
2-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl-methylamino]-N-(2-chloro-4-methylphenyl)acetamide
CID 53079135
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[methyl-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide
CID 20934200
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 100792364
N-(4-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
CID 20888599
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 27743901
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 41051661

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide (CID 53079098) is N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide is CC1CCN(C(=O)c2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)c[nH]2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide?
The InChIKey is LFNWSZQTYCPXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4S/c1-14-7-9-25(10-8-14)20(27)18-11-17(12-22-18)30(28,29)24(2)13-19(26)23-16-5-3-15(21)4-6-16/h3-6,11-12,14,22H,7-10,13H2,1-2H3,(H,23,26).
What are the key properties of N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide?
N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide has a molecular weight of 452.96 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide is sourced from PubChem (CID 53079098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).