(2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide

C19H26N4O6S — CID 97256953

IUPAC(2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)O1
InChIInChI=1S/C19H26N4O6S/c1-22(2)19(26)16-8-5-14(29-16)11-21-18(25)13-3-6-15(7-4-13)30(27,28)23-10-9-20-17(24)12-23/h3-4,6-7,14,16H,5,8-12H2,1-2H3,(H,20,24)(H,21,25)/t14-,16+/m0/s1
InChIKeyWTOADGYGHLPNPI-GOEBONIOSA-N
MW438.51 g/mol
LogP-0.83
Rot. Bonds6

About (2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide

(2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide (PubChem CID 97256953) has the molecular formula C19H26N4O6S and a molecular weight of 438.51 g/mol. Its IUPAC name is (2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide
PubChem CID97256953
Molecular FormulaC19H26N4O6S
Molecular Weight438.51 g/mol
Exact Mass438.16
IUPAC Name(2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)O1
InChIInChI=1S/C19H26N4O6S/c1-22(2)19(26)16-8-5-14(29-16)11-21-18(25)13-3-6-15(7-4-13)30(27,28)23-10-9-20-17(24)12-23/h3-4,6-7,14,16H,5,8-12H2,1-2H3,(H,20,24)(H,21,25)/t14-,16+/m0/s1
InChIKeyWTOADGYGHLPNPI-GOEBONIOSA-N
XLogP-0.83
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2S,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide
CID 97256952
(2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide
CID 99780914
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119573926
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 119457140
4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 31883493
2-methyl-2-[methyl-[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]propanoic acid
CID 119200443
N-(1-aminopropan-2-yl)-N-methyl-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119583056
2-[cyclopropyl-[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]propanoic acid
CID 119202969
2-[2-methylpropyl-[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]acetic acid
CID 119193093
N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119476514
N-[[3-(methoxymethyl)phenyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55727586
(2S)-3-methyl-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 119360362

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide (CID 97256953) is (2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide is CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)O1.
What is the InChIKey of (2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide?
The InChIKey is WTOADGYGHLPNPI-GOEBONIOSA-N. The full InChI is InChI=1S/C19H26N4O6S/c1-22(2)19(26)16-8-5-14(29-16)11-21-18(25)13-3-6-15(7-4-13)30(27,28)23-10-9-20-17(24)12-23/h3-4,6-7,14,16H,5,8-12H2,1-2H3,(H,20,24)(H,21,25)/t14-,16+/m0/s1.
What are the key properties of (2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide?
(2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 438.51 g/mol, XLogP of -0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 97256953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).