N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide

C17H24N4O4S — CID 120657511

IUPACN-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)N2C[C@H]3CNC[C@H]3C2)cc1
InChIInChI=1S/C17H24N4O4S/c1-11(17(23)21-9-13-7-18-8-14(13)10-21)20-26(24,25)16-5-3-15(4-6-16)19-12(2)22/h3-6,11,13-14,18,20H,7-10H2,1-2H3,(H,19,22)/t11?,13-,14+
InChIKeyNYERRDICIYAGTP-QXMXGUDHSA-N
MW380.47 g/mol
LogP-0.01
Rot. Bonds5

About N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 120657511) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID120657511
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)N2C[C@H]3CNC[C@H]3C2)cc1
InChIInChI=1S/C17H24N4O4S/c1-11(17(23)21-9-13-7-18-8-14(13)10-21)20-26(24,25)16-5-3-15(4-6-16)19-12(2)22/h3-6,11,13-14,18,20H,7-10H2,1-2H3,(H,19,22)/t11?,13-,14+
InChIKeyNYERRDICIYAGTP-QXMXGUDHSA-N
XLogP-0.01
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

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CID 55936116
N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
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2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
N-[4-[[(2S)-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55955686
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CID 27661594
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CID 86815509
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CID 55942405
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid
CID 119215921
N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide (CID 120657511) is N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)N2C[C@H]3CNC[C@H]3C2)cc1.
What is the InChIKey of N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is NYERRDICIYAGTP-QXMXGUDHSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-11(17(23)21-9-13-7-18-8-14(13)10-21)20-26(24,25)16-5-3-15(4-6-16)19-12(2)22/h3-6,11,13-14,18,20H,7-10H2,1-2H3,(H,19,22)/t11?,13-,14+.
What are the key properties of N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 120657511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).