1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea

C18H20N4O4S2 — CID 2327066

IUPAC1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H20N4O4S2/c23-17(20-21-18(27)19-15-6-2-1-3-7-15)14-5-4-8-16(13-14)28(24,25)22-9-11-26-12-10-22/h1-8,13H,9-12H2,(H,20,23)(H2,19,21,27)
InChIKeyRBTPDPKKSYISGZ-UHFFFAOYSA-N
MW420.52 g/mol
LogP1.34
Rot. Bonds4

About 1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea

1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea (PubChem CID 2327066) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea
PubChem CID2327066
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC Name1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H20N4O4S2/c23-17(20-21-18(27)19-15-6-2-1-3-7-15)14-5-4-8-16(13-14)28(24,25)22-9-11-26-12-10-22/h1-8,13H,9-12H2,(H,20,23)(H2,19,21,27)
InChIKeyRBTPDPKKSYISGZ-UHFFFAOYSA-N
XLogP1.34
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea 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-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-({[4-(4-morpholinylsulfonyl)phenyl]amino}carbonothioyl)-3-phenylpropanamide
CID 1014410
4-(Morpholine-4-sulfonyl)-N-phenyl-benzamide
CID 777437
N-(3-fluorophenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1379158
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2329908
4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide
CID 5227348
N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 6902608
3-(dimethylsulfamoyl)-N-(4-morpholin-4-ylphenyl)benzamide;hydrochloride
CID 16238744
3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 16299719
N-(4-fluorophenyl)-3-(morpholin-4-ylsulfonyl)benzamide
CID 1119033
4-fluoro-3-(morpholin-4-ylsulfonyl)-N-phenylbenzamide
CID 1514711
2-methyl-N-({[4-(4-morpholinylsulfonyl)phenyl]amino}carbonothioyl)benzamide
CID 2197543

Frequently Asked Questions

What is the IUPAC name of 1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea?
The IUPAC name of 1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea (CID 2327066) is 1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea.
What is the SMILES notation for 1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea?
The canonical SMILES for 1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea is O=C(NNC(=S)Nc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea?
The InChIKey is RBTPDPKKSYISGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c23-17(20-21-18(27)19-15-6-2-1-3-7-15)14-5-4-8-16(13-14)28(24,25)22-9-11-26-12-10-22/h1-8,13H,9-12H2,(H,20,23)(H2,19,21,27).
What are the key properties of 1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea?
1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea has a molecular weight of 420.52 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea is sourced from PubChem (CID 2327066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).