2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide

C21H29N2O4P3S — CID 170338932

IUPAC2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCOc1cc(NC(=O)CC2CCCC2)ccc1S(=O)(=O)Nc1cccc(C(P)(P)P)c1
InChIInChI=1S/C21H29N2O4P3S/c1-27-18-13-16(22-20(24)11-14-5-2-3-6-14)9-10-19(18)31(25,26)23-17-8-4-7-15(12-17)21(28,29)30/h4,7-10,12-14,23H,2-3,5-6,11,28-30H2,1H3,(H,22,24)
InChIKeyMDAUNJABIQLXLB-UHFFFAOYSA-N
MW498.46 g/mol
LogP4.75
Rot. Bonds8

About 2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide

2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 170338932) has the molecular formula C21H29N2O4P3S and a molecular weight of 498.46 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID170338932
Molecular FormulaC21H29N2O4P3S
Molecular Weight498.46 g/mol
Exact Mass498.11
IUPAC Name2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCOc1cc(NC(=O)CC2CCCC2)ccc1S(=O)(=O)Nc1cccc(C(P)(P)P)c1
InChIInChI=1S/C21H29N2O4P3S/c1-27-18-13-16(22-20(24)11-14-5-2-3-6-14)9-10-19(18)31(25,26)23-17-8-4-7-15(12-17)21(28,29)30/h4,7-10,12-14,23H,2-3,5-6,11,28-30H2,1H3,(H,22,24)
InChIKeyMDAUNJABIQLXLB-UHFFFAOYSA-N
XLogP4.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide
CID 169307783
2-cyclopentyl-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 9414196
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
CID 169308090
(2S)-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 169307860
methyl 3-[(2-cyclobutylacetyl)amino]benzoate
CID 103706367
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide
CID 75392991
N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 170341252
4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid
CID 99780414
tert-butyl N-[2-[3-[(2-cyclohexylacetyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917245
N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide
CID 170337987

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide (CID 170338932) is 2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide is COc1cc(NC(=O)CC2CCCC2)ccc1S(=O)(=O)Nc1cccc(C(P)(P)P)c1.
What is the InChIKey of 2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is MDAUNJABIQLXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N2O4P3S/c1-27-18-13-16(22-20(24)11-14-5-2-3-6-14)9-10-19(18)31(25,26)23-17-8-4-7-15(12-17)21(28,29)30/h4,7-10,12-14,23H,2-3,5-6,11,28-30H2,1H3,(H,22,24).
What are the key properties of 2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide?
2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 498.46 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 170338932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).