[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate

C13H21N3O5S — CID 43035923

IUPAC[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate
SMILESCC(C)C(C)NC(=O)COC(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C13H21N3O5S/c1-8(2)9(3)15-12(17)7-21-13(18)11-5-10(6-16(11)4)22(14,19)20/h5-6,8-9H,7H2,1-4H3,(H,15,17)(H2,14,19,20)
InChIKeyFUKFOGNMYNPBDK-UHFFFAOYSA-N
MW331.39 g/mol
LogP-0.01
Rot. Bonds6

About [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate

[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate (PubChem CID 43035923) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate
PubChem CID43035923
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC Name[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate
SMILESCC(C)C(C)NC(=O)COC(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C13H21N3O5S/c1-8(2)9(3)15-12(17)7-21-13(18)11-5-10(6-16(11)4)22(14,19)20/h5-6,8-9H,7H2,1-4H3,(H,15,17)(H2,14,19,20)
InChIKeyFUKFOGNMYNPBDK-UHFFFAOYSA-N
XLogP-0.01
TPSA120.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate
CID 42925799
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2647715
N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65381407
N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60718274
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 2645737
3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 62822599
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
CID 7247748
3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 103153124
ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612614
3-methylbutyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65396394

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate (CID 43035923) is [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate is CC(C)C(C)NC(=O)COC(=O)c1cc(S(N)(=O)=O)cn1C.
What is the InChIKey of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate?
The InChIKey is FUKFOGNMYNPBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-8(2)9(3)15-12(17)7-21-13(18)11-5-10(6-16(11)4)22(14,19)20/h5-6,8-9H,7H2,1-4H3,(H,15,17)(H2,14,19,20).
What are the key properties of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate?
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate has a molecular weight of 331.39 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 43035923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).