N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine

C24H28N2O4S2 — CID 137429556

IUPACN-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1cccs1
InChIInChI=1S/C24H28N2O4S2/c1-29-24-7-3-2-5-21(24)18-25(19-22-6-4-16-31-22)17-20-8-10-23(11-9-20)32(27,28)26-12-14-30-15-13-26/h2-11,16H,12-15,17-19H2,1H3
InChIKeyHEJIKAJYSGWIRD-UHFFFAOYSA-N
MW472.63 g/mol
LogP3.98
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine

N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 137429556) has the molecular formula C24H28N2O4S2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID137429556
Molecular FormulaC24H28N2O4S2
Molecular Weight472.63 g/mol
Exact Mass472.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1cccs1
InChIInChI=1S/C24H28N2O4S2/c1-29-24-7-3-2-5-21(24)18-25(19-22-6-4-16-31-22)17-20-8-10-23(11-9-20)32(27,28)26-12-14-30-15-13-26/h2-11,16H,12-15,17-19H2,1H3
InChIKeyHEJIKAJYSGWIRD-UHFFFAOYSA-N
XLogP3.98
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 129255543
(2-methoxyphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 8761548
N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 26943731
4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 1176692
1-[2-(2-methoxyphenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271573
N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 112796417
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31481947
N-[(2-methoxyphenyl)methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6492353
N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1167021
1-(2-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 5155615
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991466

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 137429556) is N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine is COc1ccccc1CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1cccs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is HEJIKAJYSGWIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S2/c1-29-24-7-3-2-5-21(24)18-25(19-22-6-4-16-31-22)17-20-8-10-23(11-9-20)32(27,28)26-12-14-30-15-13-26/h2-11,16H,12-15,17-19H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 472.63 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 137429556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).