N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C16H27N3O4S — CID 119606159

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)NC(C)(CN)C(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H27N3O4S/c1-11(2)16(4,10-17)18-15(20)13-9-14(12(3)23-13)24(21,22)19-7-5-6-8-19/h9,11H,5-8,10,17H2,1-4H3,(H,18,20)
InChIKeyFMYQIINNHFQKAE-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.48
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 119606159) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID119606159
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)NC(C)(CN)C(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H27N3O4S/c1-11(2)16(4,10-17)18-15(20)13-9-14(12(3)23-13)24(21,22)19-7-5-6-8-19/h9,11H,5-8,10,17H2,1-4H3,(H,18,20)
InChIKeyFMYQIINNHFQKAE-UHFFFAOYSA-N
XLogP1.48
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide 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

N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 119609057
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119609108
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 119607326
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119606419
2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
CID 119223538
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
5-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55761698
5-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 49394055
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119631623
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180
5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55965207
(2S)-2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 119372503

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 119606159) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)NC(C)(CN)C(C)C)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is FMYQIINNHFQKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-11(2)16(4,10-17)18-15(20)13-9-14(12(3)23-13)24(21,22)19-7-5-6-8-19/h9,11H,5-8,10,17H2,1-4H3,(H,18,20).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 119606159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).