3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide

C22H33N3O3S2 — CID 36559680

IUPAC3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCC1(N2CCSCC2)CCCC1
InChIInChI=1S/C22H33N3O3S2/c26-21(23-17-22(11-1-2-12-22)25-13-15-29-16-14-25)10-5-18-3-8-20(9-4-18)30(27,28)24-19-6-7-19/h3-4,8-9,19,24H,1-2,5-7,10-17H2,(H,23,26)
InChIKeyRBRKHSWDLZHRGJ-UHFFFAOYSA-N
MW451.66 g/mol
LogP2.54
Rot. Bonds9

About 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide (PubChem CID 36559680) has the molecular formula C22H33N3O3S2 and a molecular weight of 451.66 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
PubChem CID36559680
Molecular FormulaC22H33N3O3S2
Molecular Weight451.66 g/mol
Exact Mass451.20
IUPAC Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCC1(N2CCSCC2)CCCC1
InChIInChI=1S/C22H33N3O3S2/c26-21(23-17-22(11-1-2-12-22)25-13-15-29-16-14-25)10-5-18-3-8-20(9-4-18)30(27,28)24-19-6-7-19/h3-4,8-9,19,24H,1-2,5-7,10-17H2,(H,23,26)
InChIKeyRBRKHSWDLZHRGJ-UHFFFAOYSA-N
XLogP2.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.66
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
CID 39179857
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 55569858
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 31328580
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051
N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119404968
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 55658582
4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 36554858
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
3-[4-(cyclopropylsulfamoyl)phenyl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424393
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968217

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide (CID 36559680) is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide is O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCC1(N2CCSCC2)CCCC1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide?
The InChIKey is RBRKHSWDLZHRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3S2/c26-21(23-17-22(11-1-2-12-22)25-13-15-29-16-14-25)10-5-18-3-8-20(9-4-18)30(27,28)24-19-6-7-19/h3-4,8-9,19,24H,1-2,5-7,10-17H2,(H,23,26).
What are the key properties of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide?
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide has a molecular weight of 451.66 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 36559680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).