5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C20H26N4O5S — CID 55965207

IUPAC5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)Nc2ccccc2NC(=O)NC(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H26N4O5S/c1-13(2)21-20(26)23-16-9-5-4-8-15(16)22-19(25)17-12-18(14(3)29-17)30(27,28)24-10-6-7-11-24/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,25)(H2,21,23,26)
InChIKeyUCJOZLVUDDJBIX-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.15
Rot. Bonds6

About 5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55965207) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55965207
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC Name5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)Nc2ccccc2NC(=O)NC(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H26N4O5S/c1-13(2)21-20(26)23-16-9-5-4-8-15(16)22-19(25)17-12-18(14(3)29-17)30(27,28)24-10-6-7-11-24/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,25)(H2,21,23,26)
InChIKeyUCJOZLVUDDJBIX-UHFFFAOYSA-N
XLogP3.15
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide
CID 112835204
(2S)-2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 119372503
5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883946
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55754658
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180
2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
CID 119223538
N-(4-butoxy-2-methylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55973655
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 119606159
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
5-methyl-N-[(1-phenylcyclopropyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758629
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94829019
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55761895

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 55965207) is 5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)Nc2ccccc2NC(=O)NC(C)C)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is UCJOZLVUDDJBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-13(2)21-20(26)23-16-9-5-4-8-15(16)22-19(25)17-12-18(14(3)29-17)30(27,28)24-10-6-7-11-24/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,25)(H2,21,23,26).
What are the key properties of 5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55965207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).