N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide

C19H22N2O3S2 — CID 89238501

IUPACN-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)CC1
InChIInChI=1S/C19H22N2O3S2/c1-2-18(22)20-14-15-10-12-21(13-11-15)26(23,24)19-9-8-17(25-19)16-6-4-3-5-7-16/h2-9,15H,1,10-14H2,(H,20,22)
InChIKeyTXZAMFAVGODGIF-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.12
Rot. Bonds6

About N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide

N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide (PubChem CID 89238501) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide
PubChem CID89238501
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC NameN-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)CC1
InChIInChI=1S/C19H22N2O3S2/c1-2-18(22)20-14-15-10-12-21(13-11-15)26(23,24)19-9-8-17(25-19)16-6-4-3-5-7-16/h2-9,15H,1,10-14H2,(H,20,22)
InChIKeyTXZAMFAVGODGIF-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide 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

N-[[1-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methyl]prop-2-enamide
CID 89236667
N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide
CID 89236736
N-[[1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfonylpiperidin-4-yl]methyl]prop-2-enamide
CID 89237097
N-(naphthalen-1-ylmethyl)-4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylbenzamide
CID 89237476
N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide
CID 89236264
N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470063
N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]prop-2-enamide
CID 167842346
N-[(3S)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-3-yl]prop-2-enamide
CID 89236149
benzyl N-[[1-[4-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]methyl]carbamate
CID 52939774
N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101507
4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide
CID 119310285
2-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 95088956

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide (CID 89238501) is N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide is C=CC(=O)NCC1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)CC1.
What is the InChIKey of N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide?
The InChIKey is TXZAMFAVGODGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-2-18(22)20-14-15-10-12-21(13-11-15)26(23,24)19-9-8-17(25-19)16-6-4-3-5-7-16/h2-9,15H,1,10-14H2,(H,20,22).
What are the key properties of N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide?
N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide has a molecular weight of 390.53 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 89238501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).