3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

C21H35N3O3S — CID 55723525

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCCCN1CCNC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H35N3O3S/c1-17-7-5-6-15-24(17)16-14-22-20(25)12-13-23-28(26,27)19-10-8-18(9-11-19)21(2,3)4/h8-11,17,23H,5-7,12-16H2,1-4H3,(H,22,25)
InChIKeyYHBVIVVULPIDFZ-UHFFFAOYSA-N
MW409.60 g/mol
LogP2.64
Rot. Bonds8

About 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (PubChem CID 55723525) has the molecular formula C21H35N3O3S and a molecular weight of 409.60 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
PubChem CID55723525
Molecular FormulaC21H35N3O3S
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCCCN1CCNC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H35N3O3S/c1-17-7-5-6-15-24(17)16-14-22-20(25)12-13-23-28(26,27)19-10-8-18(9-11-19)21(2,3)4/h8-11,17,23H,5-7,12-16H2,1-4H3,(H,22,25)
InChIKeyYHBVIVVULPIDFZ-UHFFFAOYSA-N
XLogP2.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 51221562
4-[2-[(2R)-2-methylpiperidin-1-yl]ethylsulfamoyl]benzamide
CID 94182162
3-[(4-tert-butylphenyl)sulfonylamino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]propanamide
CID 56558538
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 55713959
3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 15996431
4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 3835146
3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 24537070
2-methyl-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370825
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 50768018
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
N-[2-(3-methylpiperidin-1-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55723188
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (CID 55723525) is 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is CC1CCCCN1CCNC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is YHBVIVVULPIDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3S/c1-17-7-5-6-15-24(17)16-14-22-20(25)12-13-23-28(26,27)19-10-8-18(9-11-19)21(2,3)4/h8-11,17,23H,5-7,12-16H2,1-4H3,(H,22,25).
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 409.60 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 55723525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).