2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C22H26N2O4S — CID 41066122

IUPAC2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C22H26N2O4S/c1-27-13-14-29-20-11-5-3-9-18(20)22(26)24-19-10-4-2-8-17(19)21(25)23-15-16-7-6-12-28-16/h2-5,8-11,16H,6-7,12-15H2,1H3,(H,23,25)(H,24,26)/t16-/m1/s1
InChIKeyZINVUPPESBJKCX-MRXNPFEDSA-N
MW414.53 g/mol
LogP3.59
Rot. Bonds9

About 2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 41066122) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID41066122
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C22H26N2O4S/c1-27-13-14-29-20-11-5-3-9-18(20)22(26)24-19-10-4-2-8-17(19)21(25)23-15-16-7-6-12-28-16/h2-5,8-11,16H,6-7,12-15H2,1H3,(H,23,25)(H,24,26)/t16-/m1/s1
InChIKeyZINVUPPESBJKCX-MRXNPFEDSA-N
XLogP3.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2218436
2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2989154
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4945492
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9206549
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
2-[[2-(difluoromethoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013865
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-pentoxybenzoyl)amino]benzamide
CID 9232358
methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 41066122) is 2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is COCCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is ZINVUPPESBJKCX-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-27-13-14-29-20-11-5-3-9-18(20)22(26)24-19-10-4-2-8-17(19)21(25)23-15-16-7-6-12-28-16/h2-5,8-11,16H,6-7,12-15H2,1H3,(H,23,25)(H,24,26)/t16-/m1/s1.
What are the key properties of 2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 414.53 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 41066122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).