N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide

C23H28N4O4S — CID 41143724

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H28N4O4S/c28-21(26-9-11-27(12-10-26)23(30)20-8-4-14-32-20)16-24-19-7-2-1-6-18(19)22(29)25-15-17-5-3-13-31-17/h1-2,4,6-8,14,17,24H,3,5,9-13,15-16H2,(H,25,29)/t17-/m0/s1
InChIKeyQHDNAGIPVXYBHK-KRWDZBQOSA-N
MW456.57 g/mol
LogP2.05
Rot. Bonds7

About N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide

N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide (PubChem CID 41143724) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide
PubChem CID41143724
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H28N4O4S/c28-21(26-9-11-27(12-10-26)23(30)20-8-4-14-32-20)16-24-19-7-2-1-6-18(19)22(29)25-15-17-5-3-13-31-17/h1-2,4,6-8,14,17,24H,3,5,9-13,15-16H2,(H,25,29)/t17-/m0/s1
InChIKeyQHDNAGIPVXYBHK-KRWDZBQOSA-N
XLogP2.05
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide with MolForge

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Related Compounds

N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27260860
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25356675
N-(oxolan-2-ylmethyl)-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68739534
N-[4-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26725077
N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324114
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41084647
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383699
N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383704
2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 43015996
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92760589
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46084284

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide (CID 41143724) is N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide is O=C(NC[C@@H]1CCCO1)c1ccccc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide?
The InChIKey is QHDNAGIPVXYBHK-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N4O4S/c28-21(26-9-11-27(12-10-26)23(30)20-8-4-14-32-20)16-24-19-7-2-1-6-18(19)22(29)25-15-17-5-3-13-31-17/h1-2,4,6-8,14,17,24H,3,5,9-13,15-16H2,(H,25,29)/t17-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide has a molecular weight of 456.57 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide is sourced from PubChem (CID 41143724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).