2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide

C25H29N3OS — CID 165116027

IUPAC2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C25H29N3OS/c1-18-9-10-22(28-13-11-27(3)12-14-28)16-23(18)25(29)26-19(2)24-15-21(17-30-24)20-7-5-4-6-8-20/h4-10,15-17,19H,11-14H2,1-3H3,(H,26,29)/t19-/m1/s1
InChIKeyBNZAHRZFBFOKSS-LJQANCHMSA-N
MW419.59 g/mol
LogP4.97
Rot. Bonds5

About 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide

2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide (PubChem CID 165116027) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide
PubChem CID165116027
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C25H29N3OS/c1-18-9-10-22(28-13-11-27(3)12-14-28)16-23(18)25(29)26-19(2)24-15-21(17-30-24)20-7-5-4-6-8-20/h4-10,15-17,19H,11-14H2,1-3H3,(H,26,29)/t19-/m1/s1
InChIKeyBNZAHRZFBFOKSS-LJQANCHMSA-N
XLogP4.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(1R)-1-[[2-methyl-5-(4-methylpiperazin-1-yl)benzoyl]amino]ethyl]phenyl]thiophene-2-carboxylic acid
CID 165115795
N-[(1R)-1-(3-methoxy-5-phenylphenyl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165116202
N-[(1R)-1-(4-bromophenyl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165116022
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
CID 165115886
N-[(1R)-1-[3-(1,2-dihydroxyethyl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165115783
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(piperidine-1-carbonyl)phenyl]phenyl]ethyl]benzamide
CID 165115986
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165115965
2,3,5-trimethyl-4-[3-[(1R)-1-[[2-methyl-5-(4-methylpiperazin-1-yl)benzoyl]amino]ethyl]phenyl]pyrrole-1-carboxamide
CID 175508745
5-[4-[1-[[2-methyl-5-(4-methylpiperazin-1-yl)benzoyl]amino]ethyl]naphthalen-2-yl]-1H-pyrrole-3-carboxylic acid
CID 171792234
2-methyl-N-[1-[3-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide
CID 167225758
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide
CID 165116284
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide
CID 165115941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide (CID 165116027) is 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide is Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cc(-c2ccccc2)cs1.
What is the InChIKey of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide?
The InChIKey is BNZAHRZFBFOKSS-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29N3OS/c1-18-9-10-22(28-13-11-27(3)12-14-28)16-23(18)25(29)26-19(2)24-15-21(17-30-24)20-7-5-4-6-8-20/h4-10,15-17,19H,11-14H2,1-3H3,(H,26,29)/t19-/m1/s1.
What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide?
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide has a molecular weight of 419.59 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-(4-phenylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 165116027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).