1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea

C14H22N4O4S2 — CID 9477966

IUPAC1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
SMILESCCNS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@H](C)COC)cc1
InChIInChI=1S/C14H22N4O4S2/c1-4-15-24(20,21)12-7-5-11(6-8-12)13(19)17-18-14(23)16-10(2)9-22-3/h5-8,10,15H,4,9H2,1-3H3,(H,17,19)(H2,16,18,23)/t10-/m1/s1
InChIKeyIBDQTERDKRQYCQ-SNVBAGLBSA-N
MW374.49 g/mol
LogP0.13
Rot. Bonds7

About 1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea

1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea (PubChem CID 9477966) has the molecular formula C14H22N4O4S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea.

Molecular Properties

Compound Name1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
PubChem CID9477966
Molecular FormulaC14H22N4O4S2
Molecular Weight374.49 g/mol
Exact Mass374.11
IUPAC Name1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
SMILESCCNS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@H](C)COC)cc1
InChIInChI=1S/C14H22N4O4S2/c1-4-15-24(20,21)12-7-5-11(6-8-12)13(19)17-18-14(23)16-10(2)9-22-3/h5-8,10,15H,4,9H2,1-3H3,(H,17,19)(H2,16,18,23)/t10-/m1/s1
InChIKeyIBDQTERDKRQYCQ-SNVBAGLBSA-N
XLogP0.13
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.13
H-Bond Donors ≤ 54
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

1-[3-(benzenesulfonamido)propanoylamino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477567
1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477944
1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9086949
1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea
CID 35785840
1-[(6-chloropyridine-3-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9478408
4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 86917372
1-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9477836
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
1-[(2-benzoylbenzoyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9086909
1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea
CID 9478376
4-(ethylsulfamoyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 86830095
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
CID 55312971

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The IUPAC name of 1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea (CID 9477966) is 1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea.
What is the SMILES notation for 1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The canonical SMILES for 1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea is CCNS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@H](C)COC)cc1.
What is the InChIKey of 1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The InChIKey is IBDQTERDKRQYCQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N4O4S2/c1-4-15-24(20,21)12-7-5-11(6-8-12)13(19)17-18-14(23)16-10(2)9-22-3/h5-8,10,15H,4,9H2,1-3H3,(H,17,19)(H2,16,18,23)/t10-/m1/s1.
What are the key properties of 1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea has a molecular weight of 374.49 g/mol, XLogP of 0.13, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea is sourced from PubChem (CID 9477966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).