2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide

C18H23N3O4S2 — CID 55909819

IUPAC2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C18H23N3O4S2/c1-12(21-27(24,25)15-9-6-10-26-15)16(22)19-13-7-5-8-14(11-13)20-17(23)18(2,3)4/h5-12,21H,1-4H3,(H,19,22)(H,20,23)
InChIKeyNFLMYZURCISCJI-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.04
Rot. Bonds6

About 2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide

2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide (PubChem CID 55909819) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide
PubChem CID55909819
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC Name2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C18H23N3O4S2/c1-12(21-27(24,25)15-9-6-10-26-15)16(22)19-13-7-5-8-14(11-13)20-17(23)18(2,3)4/h5-12,21H,1-4H3,(H,19,22)(H,20,23)
InChIKeyNFLMYZURCISCJI-UHFFFAOYSA-N
XLogP3.04
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55645413
N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55942057
N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 60544871
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911805
N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
CID 55965030
N-(2-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 110601235
N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999915
2-methyl-2-[2-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 119199790
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
(2R)-N-(1H-pyrazol-5-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 95280952
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911543
N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 47321746

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide (CID 55909819) is 2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide is CC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide?
The InChIKey is NFLMYZURCISCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-12(21-27(24,25)15-9-6-10-26-15)16(22)19-13-7-5-8-14(11-13)20-17(23)18(2,3)4/h5-12,21H,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide?
2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide has a molecular weight of 409.53 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide is sourced from PubChem (CID 55909819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).