(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C20H31N5O4S — CID 30721204

IUPAC(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESC[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C20H31N5O4S/c1-15(25-12-10-24(11-13-25)14-19(26)23-17-4-5-17)20(27)22-9-8-16-2-6-18(7-3-16)30(21,28)29/h2-3,6-7,15,17H,4-5,8-14H2,1H3,(H,22,27)(H,23,26)(H2,21,28,29)/t15-/m1/s1
InChIKeyFQZRJOIOOLRIDO-OAHLLOKOSA-N
MW437.57 g/mol
LogP-0.72
Rot. Bonds9

About (2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 30721204) has the molecular formula C20H31N5O4S and a molecular weight of 437.57 g/mol. Its IUPAC name is (2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID30721204
Molecular FormulaC20H31N5O4S
Molecular Weight437.57 g/mol
Exact Mass437.21
IUPAC Name(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESC[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C20H31N5O4S/c1-15(25-12-10-24(11-13-25)14-19(26)23-17-4-5-17)20(27)22-9-8-16-2-6-18(7-3-16)30(21,28)29/h2-3,6-7,15,17H,4-5,8-14H2,1H3,(H,22,27)(H,23,26)(H2,21,28,29)/t15-/m1/s1
InChIKeyFQZRJOIOOLRIDO-OAHLLOKOSA-N
XLogP-0.72
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 40715955
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 30722149
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 34422322
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55565672
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30739585
ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
CID 27154557
N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108942543
(2S)-N-(4-bromophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30998316
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 30736100
N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide
CID 47055897
2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2099648
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 78833853

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 30721204) is (2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of (2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is FQZRJOIOOLRIDO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H31N5O4S/c1-15(25-12-10-24(11-13-25)14-19(26)23-17-4-5-17)20(27)22-9-8-16-2-6-18(7-3-16)30(21,28)29/h2-3,6-7,15,17H,4-5,8-14H2,1H3,(H,22,27)(H,23,26)(H2,21,28,29)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 437.57 g/mol, XLogP of -0.72, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 30721204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).