N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide

C9H12N4O2S — CID 88719092

IUPACN-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide
SMILESCNC(=O)N(S)c1ccc(NNC=O)cc1
InChIInChI=1S/C9H12N4O2S/c1-10-9(15)13(16)8-4-2-7(3-5-8)12-11-6-14/h2-6,12,16H,1H3,(H,10,15)(H,11,14)
InChIKeyQHDIHAOLYCHXKR-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.75
Rot. Bonds4

About N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide

N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide (PubChem CID 88719092) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide.

Molecular Properties

Compound NameN-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide
PubChem CID88719092
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC NameN-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide
SMILESCNC(=O)N(S)c1ccc(NNC=O)cc1
InChIInChI=1S/C9H12N4O2S/c1-10-9(15)13(16)8-4-2-7(3-5-8)12-11-6-14/h2-6,12,16H,1H3,(H,10,15)(H,11,14)
InChIKeyQHDIHAOLYCHXKR-UHFFFAOYSA-N
XLogP0.75
TPSA73.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,1-Dimethyl-4-phenylsemicarbazide
CID 226638
Urea, N-(4-(2-formylhydrazinyl)phenyl)-N'-hexyl-
CID 13627530
1-[Methyl(prop-2-enyl)amino]-3-phenylurea
CID 816171
Urea, (4-(3,3-dimethyl-1-triazenyl)phenyl)-
CID 94620
[4-[[Ethyl(methyl)amino]diazenyl]phenyl]urea
CID 430603
(dimethylamino)-N-{4-[(dimethylamino)carbonylamino]phenyl}carboxamide
CID 4396853
1,2-Hydrazinedicarboxamide, N-phenyl-
CID 792759
Urea, [4-[3-methyl-3-(2-propenyl)-1-triazenyl]phenyl]-
CID 322356
1-[2-(Dimethylamino)ethyl]-3-(phenylcarbamoylamino)urea
CID 44441260
N-(N-formylanilino)formamide
CID 222692
1-Methyl-N-phenylhydrazine-1-carboxamide
CID 279452
Thiourea, N-[4-(2-formylhydrazinyl)phenyl]-N'-phenyl-
CID 2724474

Frequently Asked Questions

What is the IUPAC name of N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide?
The IUPAC name of N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide (CID 88719092) is N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide.
What is the SMILES notation for N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide?
The canonical SMILES for N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide is CNC(=O)N(S)c1ccc(NNC=O)cc1.
What is the InChIKey of N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide?
The InChIKey is QHDIHAOLYCHXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-10-9(15)13(16)8-4-2-7(3-5-8)12-11-6-14/h2-6,12,16H,1H3,(H,10,15)(H,11,14).
What are the key properties of N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide?
N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide has a molecular weight of 240.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide is sourced from PubChem (CID 88719092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).