N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide

C26H27N3O4S2 — CID 89238001

IUPACN-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide
SMILESC=CC(=O)NC1(C)CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)cs3)cc2)CC1
InChIInChI=1S/C26H27N3O4S2/c1-3-24(30)28-26(2)13-15-29(16-14-26)35(32,33)22-11-9-21(10-12-22)27-25(31)23-17-20(18-34-23)19-7-5-4-6-8-19/h3-12,17-18H,1,13-16H2,2H3,(H,27,31)(H,28,30)
InChIKeyMQHMPMRNNUTVJB-UHFFFAOYSA-N
MW509.65 g/mol
LogP4.51
Rot. Bonds7

About N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide

N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide (PubChem CID 89238001) has the molecular formula C26H27N3O4S2 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide
PubChem CID89238001
Molecular FormulaC26H27N3O4S2
Molecular Weight509.65 g/mol
Exact Mass509.14
IUPAC NameN-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide
SMILESC=CC(=O)NC1(C)CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)cs3)cc2)CC1
InChIInChI=1S/C26H27N3O4S2/c1-3-24(30)28-26(2)13-15-29(16-14-26)35(32,33)22-11-9-21(10-12-22)27-25(31)23-17-20(18-34-23)19-7-5-4-6-8-19/h3-12,17-18H,1,13-16H2,2H3,(H,27,31)(H,28,30)
InChIKeyMQHMPMRNNUTVJB-UHFFFAOYSA-N
XLogP4.51
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.65
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide 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-[4-[3,5-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide
CID 89237722
N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 89236326
benzyl N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]carbamate
CID 140601029
N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-3-naphthalen-1-ylpropanamide
CID 89236251
N-[1-(1,3-benzothiazol-6-ylsulfonyl)-4-methylpiperidin-4-yl]prop-2-enamide
CID 89236543
N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89238146
N-methyl-4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-phenylethyl)benzamide
CID 89236020
N-[2-(4-methoxyphenyl)ethyl]-4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89237992
N-methyl-N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]oxane-4-carboxamide
CID 89239013
N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-1-benzothiophene-2-carboxamide
CID 89237200
N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503247
N-(4-chlorophenyl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503298

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide (CID 89238001) is N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide is C=CC(=O)NC1(C)CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)cs3)cc2)CC1.
What is the InChIKey of N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide?
The InChIKey is MQHMPMRNNUTVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S2/c1-3-24(30)28-26(2)13-15-29(16-14-26)35(32,33)22-11-9-21(10-12-22)27-25(31)23-17-20(18-34-23)19-7-5-4-6-8-19/h3-12,17-18H,1,13-16H2,2H3,(H,27,31)(H,28,30).
What are the key properties of N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide?
N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide has a molecular weight of 509.65 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 89238001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).