(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

C21H30N4O5S — CID 25437860

IUPAC(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H30N4O5S/c1-16(23-7-9-24(10-8-23)21(27)17-5-6-17)20(26)22-18-3-2-4-19(15-18)31(28,29)25-11-13-30-14-12-25/h2-4,15-17H,5-14H2,1H3,(H,22,26)/t16-/m1/s1
InChIKeyKFCLMFNVWAONBE-MRXNPFEDSA-N
MW450.56 g/mol
LogP0.59
Rot. Bonds6

About (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 25437860) has the molecular formula C21H30N4O5S and a molecular weight of 450.56 g/mol. Its IUPAC name is (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID25437860
Molecular FormulaC21H30N4O5S
Molecular Weight450.56 g/mol
Exact Mass450.19
IUPAC Name(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H30N4O5S/c1-16(23-7-9-24(10-8-23)21(27)17-5-6-17)20(26)22-18-3-2-4-19(15-18)31(28,29)25-11-13-30-14-12-25/h2-4,15-17H,5-14H2,1H3,(H,22,26)/t16-/m1/s1
InChIKeyKFCLMFNVWAONBE-MRXNPFEDSA-N
XLogP0.59
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41071347
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 3603157
(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 30638684
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
(2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 7395631
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 42889908
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)pentanamide
CID 119262364
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 8008010
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 16828632
(2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97066635
(2R)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97066636
[(1R,2R,3S)-2,3-dimethylcyclohexyl]-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]azanium
CID 11939442

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (CID 25437860) is (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is KFCLMFNVWAONBE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30N4O5S/c1-16(23-7-9-24(10-8-23)21(27)17-5-6-17)20(26)22-18-3-2-4-19(15-18)31(28,29)25-11-13-30-14-12-25/h2-4,15-17H,5-14H2,1H3,(H,22,26)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 450.56 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 25437860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).