N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide

C20H26N2O4S — CID 164641791

IUPACN-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)(C)c1ccc(-c2ccc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)o2)cc1
InChIInChI=1S/C20H26N2O4S/c1-20(2,3)15-7-5-14(6-8-15)17-9-10-18(26-17)19(23)22-12-11-16(13-22)21-27(4,24)25/h5-10,16,21H,11-13H2,1-4H3/t16-/m0/s1
InChIKeyXXFGCVLNNCGCDG-INIZCTEOSA-N
MW390.51 g/mol
LogP3.01
Rot. Bonds4

About N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide

N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 164641791) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID164641791
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)(C)c1ccc(-c2ccc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)o2)cc1
InChIInChI=1S/C20H26N2O4S/c1-20(2,3)15-7-5-14(6-8-15)17-9-10-18(26-17)19(23)22-12-11-16(13-22)21-27(4,24)25/h5-10,16,21H,11-13H2,1-4H3/t16-/m0/s1
InChIKeyXXFGCVLNNCGCDG-INIZCTEOSA-N
XLogP3.01
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545920
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451
N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 55484384
N-[1-[2-(4-aminophenyl)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793520
[5-(4-fluorophenyl)furan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694888
[3-(4-methoxyanilino)piperidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 45204907
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 119412672
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
(4-tert-butylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413934
N-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184528
[5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 56721031
N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide (CID 164641791) is N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide is CC(C)(C)c1ccc(-c2ccc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)o2)cc1.
What is the InChIKey of N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is XXFGCVLNNCGCDG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-20(2,3)15-7-5-14(6-8-15)17-9-10-18(26-17)19(23)22-12-11-16(13-22)21-27(4,24)25/h5-10,16,21H,11-13H2,1-4H3/t16-/m0/s1.
What are the key properties of N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 164641791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).