N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

C14H23N3O4S — CID 47092131

IUPACN-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCCC(C)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C14H23N3O4S/c1-4-11(2)16(3)14(18)13-9-12(10-15-13)22(19,20)17-5-7-21-8-6-17/h9-11,15H,4-8H2,1-3H3
InChIKeyLGMXVRXFISBYMG-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.91
Rot. Bonds5

About N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 47092131) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID47092131
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCCC(C)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C14H23N3O4S/c1-4-11(2)16(3)14(18)13-9-12(10-15-13)22(19,20)17-5-7-21-8-6-17/h9-11,15H,4-8H2,1-3H3
InChIKeyLGMXVRXFISBYMG-UHFFFAOYSA-N
XLogP0.91
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 115869488
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 51110547
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 39996010
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55580182
N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106133
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 39995974
4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide
CID 55748899
N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18104587
N-[(2,4-dimethylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55582668
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 46513564
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 46659743

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 47092131) is N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is CCC(C)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1.
What is the InChIKey of N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is LGMXVRXFISBYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-4-11(2)16(3)14(18)13-9-12(10-15-13)22(19,20)17-5-7-21-8-6-17/h9-11,15H,4-8H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47092131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).