N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide

C20H23N3O3S — CID 110316388

IUPACN-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC3CCCN3C2c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3S/c1-15(24)21-17-9-11-19(12-10-17)27(25,26)23-14-18-8-5-13-22(18)20(23)16-6-3-2-4-7-16/h2-4,6-7,9-12,18,20H,5,8,13-14H2,1H3,(H,21,24)
InChIKeyKSMAGLOCHUKBOV-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.81
Rot. Bonds4

About N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide

N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide (PubChem CID 110316388) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide
PubChem CID110316388
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC3CCCN3C2c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3S/c1-15(24)21-17-9-11-19(12-10-17)27(25,26)23-14-18-8-5-13-22(18)20(23)16-6-3-2-4-7-16/h2-4,6-7,9-12,18,20H,5,8,13-14H2,1H3,(H,21,24)
InChIKeyKSMAGLOCHUKBOV-UHFFFAOYSA-N
XLogP2.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide
CID 24882129
2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
CID 110316401
3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide
CID 110634605
(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058609
(2S)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058607
N-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926480
N-[4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926481
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2836734
N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 32681927
N-[4-[[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]acetamide
CID 7386954
N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 51531011
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide (CID 110316388) is N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CC3CCCN3C2c2ccccc2)cc1.
What is the InChIKey of N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide?
The InChIKey is KSMAGLOCHUKBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-15(24)21-17-9-11-19(12-10-17)27(25,26)23-14-18-8-5-13-22(18)20(23)16-6-3-2-4-7-16/h2-4,6-7,9-12,18,20H,5,8,13-14H2,1H3,(H,21,24).
What are the key properties of N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide?
N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide has a molecular weight of 385.49 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide is sourced from PubChem (CID 110316388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).