N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide

C22H24N2O4S2 — CID 60556598

IUPACN-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C22H24N2O4S2/c1-17(24-30(26,27)21-11-6-12-29-21)22(25)23-14-19-9-5-10-20(13-19)16-28-15-18-7-3-2-4-8-18/h2-13,17,24H,14-16H2,1H3,(H,23,25)
InChIKeyDCTVECKTWAOTPX-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.45
Rot. Bonds10

About N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide

N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 60556598) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID60556598
Molecular FormulaC22H24N2O4S2
Molecular Weight444.58 g/mol
Exact Mass444.12
IUPAC NameN-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C22H24N2O4S2/c1-17(24-30(26,27)21-11-6-12-29-21)22(25)23-14-19-9-5-10-20(13-19)16-28-15-18-7-3-2-4-8-18/h2-13,17,24H,14-16H2,1H3,(H,23,25)
InChIKeyDCTVECKTWAOTPX-UHFFFAOYSA-N
XLogP3.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
(2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
CID 60608615
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044
(2R)-N-[(4-chlorophenyl)methyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92714827
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 56523305
(2S)-3-methyl-N-(4-phenylmethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41228343
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39171548
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55962464
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
CID 3722193

Frequently Asked Questions

What is the IUPAC name of N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide (CID 60556598) is N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide is CC(NS(=O)(=O)c1cccs1)C(=O)NCc1cccc(COCc2ccccc2)c1.
What is the InChIKey of N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is DCTVECKTWAOTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-17(24-30(26,27)21-11-6-12-29-21)22(25)23-14-19-9-5-10-20(13-19)16-28-15-18-7-3-2-4-8-18/h2-13,17,24H,14-16H2,1H3,(H,23,25).
What are the key properties of N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 444.58 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 60556598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).