N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide

C19H25N3O3S2 — CID 60544871

IUPACN-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H25N3O3S2/c1-15(21-27(24,25)18-9-6-12-26-18)19(23)20-17-8-5-7-16(13-17)14-22-10-3-2-4-11-22/h5-9,12-13,15,21H,2-4,10-11,14H2,1H3,(H,20,23)
InChIKeyUTSIRFYBYPCAJW-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.04
Rot. Bonds7

About N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide

N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 60544871) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID60544871
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H25N3O3S2/c1-15(21-27(24,25)18-9-6-12-26-18)19(23)20-17-8-5-7-16(13-17)14-22-10-3-2-4-11-22/h5-9,12-13,15,21H,2-4,10-11,14H2,1H3,(H,20,23)
InChIKeyUTSIRFYBYPCAJW-UHFFFAOYSA-N
XLogP3.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55645413
2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide
CID 55909819
N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999915
N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55970450
N-methyl-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]thiophene-2-carboxamide
CID 55654517
N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 51698921
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911805
2-benzylsulfanyl-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
CID 55778351
(2S,3S)-2-amino-3-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 61178548
2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 49005209
2-(2-methoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131930532
N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
CID 55965030

Frequently Asked Questions

What is the IUPAC name of N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide (CID 60544871) is N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide is CC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(CN2CCCCC2)c1.
What is the InChIKey of N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is UTSIRFYBYPCAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-15(21-27(24,25)18-9-6-12-26-18)19(23)20-17-8-5-7-16(13-17)14-22-10-3-2-4-11-22/h5-9,12-13,15,21H,2-4,10-11,14H2,1H3,(H,20,23).
What are the key properties of N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 407.56 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 60544871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).