N-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide

C17H20N4O2S — CID 145175525

IUPACN-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide
SMILESCC(Cc1ccccc1)NC(=O)NSNc1ccc(NC=O)cc1
InChIInChI=1S/C17H20N4O2S/c1-13(11-14-5-3-2-4-6-14)19-17(23)21-24-20-16-9-7-15(8-10-16)18-12-22/h2-10,12-13,20H,11H2,1H3,(H,18,22)(H2,19,21,23)
InChIKeyKCCZVCGNZOOMIX-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.16
Rot. Bonds8

About N-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide

N-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide (PubChem CID 145175525) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide
PubChem CID145175525
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide
SMILESCC(Cc1ccccc1)NC(=O)NSNc1ccc(NC=O)cc1
InChIInChI=1S/C17H20N4O2S/c1-13(11-14-5-3-2-4-6-14)19-17(23)21-24-20-16-9-7-15(8-10-16)18-12-22/h2-10,12-13,20H,11H2,1H3,(H,18,22)(H2,19,21,23)
InChIKeyKCCZVCGNZOOMIX-UHFFFAOYSA-N
XLogP3.16
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-oxoethylamino)sulfanyl-3-(1-phenylpropan-2-yl)urea
CID 145175937
2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 63012316
3-formamido-4-oxo-4-(1-phenylpropan-2-ylamino)butanoic acid
CID 171532157
ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide
CID 177356857
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
4-methylsulfanyl-2-(1-phenylpropan-2-ylcarbamoylamino)butanoic acid
CID 63010780
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
N-(4-benzylsulfanyl-3-methoxyphenyl)formamide;4-fluoro-N-(1-phenylpropan-2-yl)benzamide
CID 156652788
4-methoxy-N,N-dimethylaniline;N-(4-methoxyphenyl)-N-methylformamide;1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]sulfanyl-3-(1-phenylpropan-2-yl)urea
CID 145176048

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide?
The IUPAC name of N-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide (CID 145175525) is N-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide.
What is the SMILES notation for N-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide?
The canonical SMILES for N-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide is CC(Cc1ccccc1)NC(=O)NSNc1ccc(NC=O)cc1.
What is the InChIKey of N-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide?
The InChIKey is KCCZVCGNZOOMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13(11-14-5-3-2-4-6-14)19-17(23)21-24-20-16-9-7-15(8-10-16)18-12-22/h2-10,12-13,20H,11H2,1H3,(H,18,22)(H2,19,21,23).
What are the key properties of N-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide?
N-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide has a molecular weight of 344.44 g/mol, XLogP of 3.16, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-phenylpropan-2-ylcarbamoylamino)sulfanylamino]phenyl]formamide is sourced from PubChem (CID 145175525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).