N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C16H28N4O5S2 — CID 55955220

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCCN(CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)S(C)(=O)=O
InChIInChI=1S/C16H28N4O5S2/c1-4-19(26(3,22)23)11-7-8-17-16(21)15-12-14(13-18(15)2)27(24,25)20-9-5-6-10-20/h12-13H,4-11H2,1-3H3,(H,17,21)
InChIKeyOWZLNUQFHYHGPZ-UHFFFAOYSA-N
MW420.56 g/mol
LogP0.21
Rot. Bonds9

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 55955220) has the molecular formula C16H28N4O5S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID55955220
Molecular FormulaC16H28N4O5S2
Molecular Weight420.56 g/mol
Exact Mass420.15
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCCN(CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)S(C)(=O)=O
InChIInChI=1S/C16H28N4O5S2/c1-4-19(26(3,22)23)11-7-8-17-16(21)15-12-14(13-18(15)2)27(24,25)20-9-5-6-10-20/h12-13H,4-11H2,1-3H3,(H,17,21)
InChIKeyOWZLNUQFHYHGPZ-UHFFFAOYSA-N
XLogP0.21
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87020144
N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411212
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
N-[(2-chlorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087222
1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 51266579
1-methyl-N-(2-piperidin-3-ylethyl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119555768
N-ethyl-1-methyl-N-phenyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 18102236
N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2329054
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55723205

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 55955220) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is CCN(CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is OWZLNUQFHYHGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O5S2/c1-4-19(26(3,22)23)11-7-8-17-16(21)15-12-14(13-18(15)2)27(24,25)20-9-5-6-10-20/h12-13H,4-11H2,1-3H3,(H,17,21).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 0.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 55955220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).