1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea

C19H23N3O2S2 — CID 2956623

IUPAC1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea
SMILESCOCCCNC(=S)NNC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O2S2/c1-24-14-8-13-20-19(25)22-21-18(23)17(15-9-4-2-5-10-15)26-16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyGWWJNTTUGKIIFO-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.05
Rot. Bonds8

About 1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea

1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea (PubChem CID 2956623) has the molecular formula C19H23N3O2S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea
PubChem CID2956623
Molecular FormulaC19H23N3O2S2
Molecular Weight389.55 g/mol
Exact Mass389.12
IUPAC Name1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea
SMILESCOCCCNC(=S)NNC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O2S2/c1-24-14-8-13-20-19(25)22-21-18(23)17(15-9-4-2-5-10-15)26-16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyGWWJNTTUGKIIFO-UHFFFAOYSA-N
XLogP3.05
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
1-[(4-chlorophenyl)methyl]-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea
CID 2956706
5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
1-(2-chlorophenyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea
CID 17374997
1-(5-chloro-2-methoxyphenyl)-3-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]thiourea
CID 2209051
N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide
CID 78813996
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314
(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 40604017
N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 112759820
(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide
CID 39964892
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea?
The IUPAC name of 1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea (CID 2956623) is 1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea?
The canonical SMILES for 1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea is COCCCNC(=S)NNC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea?
The InChIKey is GWWJNTTUGKIIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2/c1-24-14-8-13-20-19(25)22-21-18(23)17(15-9-4-2-5-10-15)26-16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3,(H,21,23)(H2,20,22,25).
What are the key properties of 1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea?
1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea has a molecular weight of 389.55 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea is sourced from PubChem (CID 2956623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).