2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide

C12H15N3O3S2 — CID 43568529

IUPAC2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1
InChIInChI=1S/C12H15N3O3S2/c13-12(19)8-1-5-10(6-2-8)20(17,18)14-7-11(16)15-9-3-4-9/h1-2,5-6,9,14H,3-4,7H2,(H2,13,19)(H,15,16)
InChIKeyMILAIFUUWFMKBS-UHFFFAOYSA-N
MW313.40 g/mol
LogP-0.12
Rot. Bonds6

About 2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide

2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide (PubChem CID 43568529) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide
PubChem CID43568529
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1
InChIInChI=1S/C12H15N3O3S2/c13-12(19)8-1-5-10(6-2-8)20(17,18)14-7-11(16)15-9-3-4-9/h1-2,5-6,9,14H,3-4,7H2,(H2,13,19)(H,15,16)
InChIKeyMILAIFUUWFMKBS-UHFFFAOYSA-N
XLogP-0.12
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-0.12
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

2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
CID 63288468
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 114613175
2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 106596660
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 43401368
2-[(2-aminopyrimidin-5-yl)sulfonylamino]-N-cyclopropylacetamide
CID 62147002
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide
CID 106919161
2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
CID 43568463
2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
CID 63239304
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 46418934
[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 40571054
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 81466367

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide (CID 43568529) is 2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide is NC(=S)c1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1.
What is the InChIKey of 2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is MILAIFUUWFMKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c13-12(19)8-1-5-10(6-2-8)20(17,18)14-7-11(16)15-9-3-4-9/h1-2,5-6,9,14H,3-4,7H2,(H2,13,19)(H,15,16).
What are the key properties of 2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide?
2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 313.40 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43568529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).