1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea

C14H17N3O2S3 — CID 25039011

IUPAC1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea
SMILESCC(C)NC(=S)Nc1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H17N3O2S3/c1-10(2)15-14(20)16-11-6-3-4-7-12(11)17-22(18,19)13-8-5-9-21-13/h3-10,17H,1-2H3,(H2,15,16,20)
InChIKeyJVOIQEIUGUENCX-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.24
Rot. Bonds5

About 1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea

1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea (PubChem CID 25039011) has the molecular formula C14H17N3O2S3 and a molecular weight of 355.51 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea
PubChem CID25039011
Molecular FormulaC14H17N3O2S3
Molecular Weight355.51 g/mol
Exact Mass355.05
IUPAC Name1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea
SMILESCC(C)NC(=S)Nc1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H17N3O2S3/c1-10(2)15-14(20)16-11-6-3-4-7-12(11)17-22(18,19)13-8-5-9-21-13/h3-10,17H,1-2H3,(H2,15,16,20)
InChIKeyJVOIQEIUGUENCX-UHFFFAOYSA-N
XLogP3.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 8505367
N-(2-tert-butylphenyl)thiophene-2-sulfonamide
CID 3861926
N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide
CID 769134
N-[2-(ethylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606461
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 7371081
(1R,6R)-6-[[2-(thiophen-2-ylsulfonylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 25391540
N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81497250
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
CID 30885606
N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 70133210

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea?
The IUPAC name of 1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea (CID 25039011) is 1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea.
What is the SMILES notation for 1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea?
The canonical SMILES for 1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea is CC(C)NC(=S)Nc1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of 1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea?
The InChIKey is JVOIQEIUGUENCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S3/c1-10(2)15-14(20)16-11-6-3-4-7-12(11)17-22(18,19)13-8-5-9-21-13/h3-10,17H,1-2H3,(H2,15,16,20).
What are the key properties of 1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea?
1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea has a molecular weight of 355.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea is sourced from PubChem (CID 25039011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).