3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide

C22H32N4O4S — CID 167802272

IUPAC3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
SMILESCn1cc(S(=O)(=O)NCC(NC(=O)C(C)(C)COC2CCCC2)c2ccccc2)cn1
InChIInChI=1S/C22H32N4O4S/c1-22(2,16-30-18-11-7-8-12-18)21(27)25-20(17-9-5-4-6-10-17)14-24-31(28,29)19-13-23-26(3)15-19/h4-6,9-10,13,15,18,20,24H,7-8,11-12,14,16H2,1-3H3,(H,25,27)
InChIKeyAQJZXCKHDAJRKR-UHFFFAOYSA-N
MW448.59 g/mol
LogP2.54
Rot. Bonds10

About 3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide

3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide (PubChem CID 167802272) has the molecular formula C22H32N4O4S and a molecular weight of 448.59 g/mol. Its IUPAC name is 3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
PubChem CID167802272
Molecular FormulaC22H32N4O4S
Molecular Weight448.59 g/mol
Exact Mass448.21
IUPAC Name3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
SMILESCn1cc(S(=O)(=O)NCC(NC(=O)C(C)(C)COC2CCCC2)c2ccccc2)cn1
InChIInChI=1S/C22H32N4O4S/c1-22(2,16-30-18-11-7-8-12-18)21(27)25-20(17-9-5-4-6-10-17)14-24-31(28,29)19-13-23-26(3)15-19/h4-6,9-10,13,15,18,20,24H,7-8,11-12,14,16H2,1-3H3,(H,25,27)
InChIKeyAQJZXCKHDAJRKR-UHFFFAOYSA-N
XLogP2.54
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
CID 167763166
3-(4-bromophenyl)-2,2-difluoro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
CID 167751555
3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide
CID 167853866
4-bromo-3-methoxy-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]-1,2-thiazole-5-carboxamide
CID 167979449
5-bromo-4-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-3-carboxamide
CID 167848596
1-(3-bromo-2-methylphenyl)-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]cyclopropane-1-carboxamide
CID 167761941
1-butyl-5-chloro-3-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]pyrazole-4-carboxamide
CID 167885432
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 99711424
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 63298486
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
CID 62116326
N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
CID 63765093
N-[(2S)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864282

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide?
The IUPAC name of 3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide (CID 167802272) is 3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide.
What is the SMILES notation for 3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide?
The canonical SMILES for 3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide is Cn1cc(S(=O)(=O)NCC(NC(=O)C(C)(C)COC2CCCC2)c2ccccc2)cn1.
What is the InChIKey of 3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide?
The InChIKey is AQJZXCKHDAJRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S/c1-22(2,16-30-18-11-7-8-12-18)21(27)25-20(17-9-5-4-6-10-17)14-24-31(28,29)19-13-23-26(3)15-19/h4-6,9-10,13,15,18,20,24H,7-8,11-12,14,16H2,1-3H3,(H,25,27).
What are the key properties of 3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide?
3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide has a molecular weight of 448.59 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide is sourced from PubChem (CID 167802272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).