N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

C18H27N5O3S — CID 86860488

IUPACN-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cnn(C(C)(C)C)c1
InChIInChI=1S/C18H27N5O3S/c1-18(2,3)23-12-14(11-19-23)20-17(24)16-10-15(13-21(16)4)27(25,26)22-8-6-5-7-9-22/h10-13H,5-9H2,1-4H3,(H,20,24)
InChIKeyQXLUFESTDLNSNX-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.40
Rot. Bonds4

About N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 86860488) has the molecular formula C18H27N5O3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID86860488
Molecular FormulaC18H27N5O3S
Molecular Weight393.51 g/mol
Exact Mass393.18
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cnn(C(C)(C)C)c1
InChIInChI=1S/C18H27N5O3S/c1-18(2,3)23-12-14(11-19-23)20-17(24)16-10-15(13-21(16)4)27(25,26)22-8-6-5-7-9-22/h10-13H,5-9H2,1-4H3,(H,20,24)
InChIKeyQXLUFESTDLNSNX-UHFFFAOYSA-N
XLogP2.40
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483
N-(4-tert-butylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27873802
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 24529336
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46411016
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27896718
1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55630703
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55635201

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (CID 86860488) is N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cnn(C(C)(C)C)c1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is QXLUFESTDLNSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S/c1-18(2,3)23-12-14(11-19-23)20-17(24)16-10-15(13-21(16)4)27(25,26)22-8-6-5-7-9-22/h10-13H,5-9H2,1-4H3,(H,20,24).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 86860488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).