4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide

C20H25N5O5S2 — CID 55698247

IUPAC4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1)c1cccs1
InChIInChI=1S/C20H25N5O5S2/c26-19(18-5-2-14-31-18)21-16-3-1-4-17(15-16)22-20(27)23-6-8-24(9-7-23)32(28,29)25-10-12-30-13-11-25/h1-5,14-15H,6-13H2,(H,21,26)(H,22,27)
InChIKeyUUNNZRAAPMHQMI-UHFFFAOYSA-N
MW479.58 g/mol
LogP1.73
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide

4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide (PubChem CID 55698247) has the molecular formula C20H25N5O5S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide
PubChem CID55698247
Molecular FormulaC20H25N5O5S2
Molecular Weight479.58 g/mol
Exact Mass479.13
IUPAC Name4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1)c1cccs1
InChIInChI=1S/C20H25N5O5S2/c26-19(18-5-2-14-31-18)21-16-3-1-4-17(15-16)22-20(27)23-6-8-24(9-7-23)32(28,29)25-10-12-30-13-11-25/h1-5,14-15H,6-13H2,(H,21,26)(H,22,27)
InChIKeyUUNNZRAAPMHQMI-UHFFFAOYSA-N
XLogP1.73
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-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

(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1256130
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 46532752
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 4921124
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698120
N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide
CID 75471137
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698487
N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 110352511
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid
CID 783853

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide (CID 55698247) is 4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide is O=C(Nc1cccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1)c1cccs1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide?
The InChIKey is UUNNZRAAPMHQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5S2/c26-19(18-5-2-14-31-18)21-16-3-1-4-17(15-16)22-20(27)23-6-8-24(9-7-23)32(28,29)25-10-12-30-13-11-25/h1-5,14-15H,6-13H2,(H,21,26)(H,22,27).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide?
4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55698247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).