N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

C25H31N3O4S — CID 46466722

IUPACN-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C25H31N3O4S/c29-24(26-18-19-6-5-9-22(16-19)25(30)28-14-3-4-15-28)12-13-27-33(31,32)23-11-10-20-7-1-2-8-21(20)17-23/h5-6,9-11,16-17,27H,1-4,7-8,12-15,18H2,(H,26,29)
InChIKeyZGNNMUOFGJQTIJ-UHFFFAOYSA-N
MW469.61 g/mol
LogP2.79
Rot. Bonds8

About N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 46466722) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
PubChem CID46466722
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC NameN-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C25H31N3O4S/c29-24(26-18-19-6-5-9-22(16-19)25(30)28-14-3-4-15-28)12-13-27-33(31,32)23-11-10-20-7-1-2-8-21(20)17-23/h5-6,9-11,16-17,27H,1-4,7-8,12-15,18H2,(H,26,29)
InChIKeyZGNNMUOFGJQTIJ-UHFFFAOYSA-N
XLogP2.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2904040
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4-(4-Cyclohexylcarbamoyl-naphthalene-1-sulfonylamino)-piperidine-1-carboxylic acid ethyl ester
CID 11329260
N-(2-phenylethyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 53359813
4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71449438
N-[2-(3,4-dimethylphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71449441
N-(3-phenylpropyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71453044
N-(2-naphthalen-2-ylethyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71456567
N-[1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 71458416
N-(naphthalen-1-ylmethyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71460263
N-methyl-N-(2-phenylethyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71461965
N-ethyl-3-(2-methyl-1-oxo-isoquinolin-4-yl) benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 46466722) is N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is ZGNNMUOFGJQTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c29-24(26-18-19-6-5-9-22(16-19)25(30)28-14-3-4-15-28)12-13-27-33(31,32)23-11-10-20-7-1-2-8-21(20)17-23/h5-6,9-11,16-17,27H,1-4,7-8,12-15,18H2,(H,26,29).
What are the key properties of N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 469.61 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 46466722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).