N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide

C20H25N3O3S — CID 70939268

IUPACN-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(CNc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-15(2)27(25,26)22-18-7-5-16(6-8-18)14-21-17-9-11-19(12-10-17)23-13-3-4-20(23)24/h5-12,15,21-22H,3-4,13-14H2,1-2H3
InChIKeyGOBLOIPIIVAKHT-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.58
Rot. Bonds7

About N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide

N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide (PubChem CID 70939268) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide
PubChem CID70939268
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(CNc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-15(2)27(25,26)22-18-7-5-16(6-8-18)14-21-17-9-11-19(12-10-17)23-13-3-4-20(23)24/h5-12,15,21-22H,3-4,13-14H2,1-2H3
InChIKeyGOBLOIPIIVAKHT-UHFFFAOYSA-N
XLogP3.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939276
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one
CID 66398416
1-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propane-2-sulfonamide
CID 90554024
1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 102867991
1-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]pyrrolidin-2-one
CID 158885536
5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358833
N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822486

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide (CID 70939268) is N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(CNc2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide?
The InChIKey is GOBLOIPIIVAKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15(2)27(25,26)22-18-7-5-16(6-8-18)14-21-17-9-11-19(12-10-17)23-13-3-4-20(23)24/h5-12,15,21-22H,3-4,13-14H2,1-2H3.
What are the key properties of N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide?
N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide has a molecular weight of 387.51 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 70939268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).