1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea

C15H19ClN4O4S2 — CID 8625090

IUPAC1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CC1
InChIInChI=1S/C15H19ClN4O4S2/c16-12-4-3-11(26(22,23)20-5-7-24-8-6-20)9-13(12)17-15(25)19-18-14(21)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,18,21)(H2,17,19,25)
InChIKeyORINIDFHSRSXHI-UHFFFAOYSA-N
MW418.93 g/mol
LogP1.09
Rot. Bonds4

About 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea

1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea (PubChem CID 8625090) has the molecular formula C15H19ClN4O4S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea.

Molecular Properties

Compound Name1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea
PubChem CID8625090
Molecular FormulaC15H19ClN4O4S2
Molecular Weight418.93 g/mol
Exact Mass418.05
IUPAC Name1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CC1
InChIInChI=1S/C15H19ClN4O4S2/c16-12-4-3-11(26(22,23)20-5-7-24-8-6-20)9-13(12)17-15(25)19-18-14(21)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,18,21)(H2,17,19,25)
InChIKeyORINIDFHSRSXHI-UHFFFAOYSA-N
XLogP1.09
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 51.09
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'}

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Related Compounds

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932
1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 108792177
N-[(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 4056583
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-4-methylpiperidine-1-carbothioamide
CID 8617841
(2R)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-methylpiperidine-1-carbothioamide
CID 8625398
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(2R)-pentan-2-yl]thiourea
CID 8618275
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]thiourea
CID 4985219
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243
N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide
CID 108520247
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 8903917

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea?
The IUPAC name of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea (CID 8625090) is 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea.
What is the SMILES notation for 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea?
The canonical SMILES for 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea is O=C(NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CC1.
What is the InChIKey of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea?
The InChIKey is ORINIDFHSRSXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O4S2/c16-12-4-3-11(26(22,23)20-5-7-24-8-6-20)9-13(12)17-15(25)19-18-14(21)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,18,21)(H2,17,19,25).
What are the key properties of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea?
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea has a molecular weight of 418.93 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea is sourced from PubChem (CID 8625090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).