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

C22H30N4O4S2 — CID 30638684

IUPAC(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H30N4O4S2/c1-18(25-9-7-24(8-10-25)17-20-5-3-15-31-20)22(27)23-19-4-2-6-21(16-19)32(28,29)26-11-13-30-14-12-26/h2-6,15-16,18H,7-14,17H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyPTLSSKIAKONZSR-GOSISDBHSA-N
MW478.64 g/mol
LogP1.91
Rot. Bonds7

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

(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 30638684) has the molecular formula C22H30N4O4S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
PubChem CID30638684
Molecular FormulaC22H30N4O4S2
Molecular Weight478.64 g/mol
Exact Mass478.17
IUPAC Name(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H30N4O4S2/c1-18(25-9-7-24(8-10-25)17-20-5-3-15-31-20)22(27)23-19-4-2-6-21(16-19)32(28,29)26-11-13-30-14-12-26/h2-6,15-16,18H,7-14,17H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyPTLSSKIAKONZSR-GOSISDBHSA-N
XLogP1.91
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720809
(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)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 25437860
(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 41229890
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
(2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720791
(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8834711
(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40847381
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84822086
(2R)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8720823
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)pentanamide
CID 119262364

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide (CID 30638684) is (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide is C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is PTLSSKIAKONZSR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30N4O4S2/c1-18(25-9-7-24(8-10-25)17-20-5-3-15-31-20)22(27)23-19-4-2-6-21(16-19)32(28,29)26-11-13-30-14-12-26/h2-6,15-16,18H,7-14,17H2,1H3,(H,23,27)/t18-/m1/s1.
What are the key properties of (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 478.64 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 30638684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).