N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide

C23H35N3O3S — CID 58778166

IUPACN-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide
SMILESCC(C)N(CC1(c2ccc(N3CCC(N(C)S(C)(=O)=O)C3=O)cc2)CC1)C1CCC1
InChIInChI=1S/C23H35N3O3S/c1-17(2)26(19-6-5-7-19)16-23(13-14-23)18-8-10-20(11-9-18)25-15-12-21(22(25)27)24(3)30(4,28)29/h8-11,17,19,21H,5-7,12-16H2,1-4H3
InChIKeyPRDJDAVRQFHCSE-UHFFFAOYSA-N
MW433.62 g/mol
LogP2.98
Rot. Bonds8

About N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide

N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide (PubChem CID 58778166) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide
PubChem CID58778166
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC NameN-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide
SMILESCC(C)N(CC1(c2ccc(N3CCC(N(C)S(C)(=O)=O)C3=O)cc2)CC1)C1CCC1
InChIInChI=1S/C23H35N3O3S/c1-17(2)26(19-6-5-7-19)16-23(13-14-23)18-8-10-20(11-9-18)25-15-12-21(22(25)27)24(3)30(4,28)29/h8-11,17,19,21H,5-7,12-16H2,1-4H3
InChIKeyPRDJDAVRQFHCSE-UHFFFAOYSA-N
XLogP2.98
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-[hydroxy(hydroxysulfinothioyl)amino]-2-oxopiperidine
CID 142892093
N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
CID 58778161
6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridin-7-one
CID 44581390
1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-3-[hydroxysulfinothioyl(sulfanyl)amino]-2-oxopyrrolidine
CID 142892017
N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide
CID 58778207
ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide
CID 142832998
4-[2-[1-[4-[3-[hydroxysulfinothioyl(sulfanyl)amino]-2-oxopyrrolidin-1-yl]phenyl]cyclopropyl]ethyl]morpholine
CID 142892139
3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
CID 111544278
N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide
CID 58778144
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
3-amino-1-[4-[1-[(methylsulfanylamino)methyl]cyclopentyl]phenyl]piperidin-2-one
CID 142493578
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine
CID 23292614

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide (CID 58778166) is N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide is CC(C)N(CC1(c2ccc(N3CCC(N(C)S(C)(=O)=O)C3=O)cc2)CC1)C1CCC1.
What is the InChIKey of N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide?
The InChIKey is PRDJDAVRQFHCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3S/c1-17(2)26(19-6-5-7-19)16-23(13-14-23)18-8-10-20(11-9-18)25-15-12-21(22(25)27)24(3)30(4,28)29/h8-11,17,19,21H,5-7,12-16H2,1-4H3.
What are the key properties of N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide?
N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide has a molecular weight of 433.62 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 58778166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).