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

C20H32N4O4S — CID 53079100

IUPACN-cyclohexyl-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)NC3CCCCC3)c[nH]2)CC1
InChIInChI=1S/C20H32N4O4S/c1-15-8-10-24(11-9-15)20(26)18-12-17(13-21-18)29(27,28)23(2)14-19(25)22-16-6-4-3-5-7-16/h12-13,15-16,21H,3-11,14H2,1-2H3,(H,22,25)
InChIKeySGGBQDLLCWQTBI-UHFFFAOYSA-N
MW424.57 g/mol
LogP1.96
Rot. Bonds6

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

N-cyclohexyl-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide (PubChem CID 53079100) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-cyclohexyl-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide
PubChem CID53079100
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC NameN-cyclohexyl-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)NC3CCCCC3)c[nH]2)CC1
InChIInChI=1S/C20H32N4O4S/c1-15-8-10-24(11-9-15)20(26)18-12-17(13-21-18)29(27,28)23(2)14-19(25)22-16-6-4-3-5-7-16/h12-13,15-16,21H,3-11,14H2,1-2H3,(H,22,25)
InChIKeySGGBQDLLCWQTBI-UHFFFAOYSA-N
XLogP1.96
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide
CID 53079098
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
2-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl-methylamino]-N-(3-bromophenyl)acetamide
CID 53079146
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
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-(2-chloro-4-methylphenyl)acetamide
CID 53079135
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[methyl-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide
CID 20934200
(3R)-N-cyclopentyl-1-[[5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 93058388

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide (CID 53079100) is N-cyclohexyl-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide?
The canonical SMILES for N-cyclohexyl-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)NC3CCCCC3)c[nH]2)CC1.
What is the InChIKey of N-cyclohexyl-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide?
The InChIKey is SGGBQDLLCWQTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-15-8-10-24(11-9-15)20(26)18-12-17(13-21-18)29(27,28)23(2)14-19(25)22-16-6-4-3-5-7-16/h12-13,15-16,21H,3-11,14H2,1-2H3,(H,22,25).
What are the key properties of N-cyclohexyl-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide?
N-cyclohexyl-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide has a molecular weight of 424.57 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[methyl-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide is sourced from PubChem (CID 53079100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).