N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide

C15H23N3OS — CID 43269592

IUPACN-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cccc(C(N)=S)c1)C(C)C
InChIInChI=1S/C15H23N3OS/c1-4-8-18(11(2)3)10-14(19)17-13-7-5-6-12(9-13)15(16)20/h5-7,9,11H,4,8,10H2,1-3H3,(H2,16,20)(H,17,19)
InChIKeyMGSUHCDFFVZISF-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.38
Rot. Bonds7

About N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide

N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide (PubChem CID 43269592) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide
PubChem CID43269592
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cccc(C(N)=S)c1)C(C)C
InChIInChI=1S/C15H23N3OS/c1-4-8-18(11(2)3)10-14(19)17-13-7-5-6-12(9-13)15(16)20/h5-7,9,11H,4,8,10H2,1-3H3,(H2,16,20)(H,17,19)
InChIKeyMGSUHCDFFVZISF-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-carbamothioylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265794
2-[butan-2-yl(methyl)amino]-N-(3-carbamothioylphenyl)acetamide
CID 43272948
N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448387
N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
CID 24707621
3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 18127274
N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692744
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide
CID 61351246
N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
CID 24706022
3-(3-carbamothioylphenyl)-1,1-diethylurea
CID 79162256
N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374980
N-(3-carbamothioylphenyl)-4-propoxybutanamide
CID 43248092
N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide (CID 43269592) is N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide is CCCN(CC(=O)Nc1cccc(C(N)=S)c1)C(C)C.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide?
The InChIKey is MGSUHCDFFVZISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-8-18(11(2)3)10-14(19)17-13-7-5-6-12(9-13)15(16)20/h5-7,9,11H,4,8,10H2,1-3H3,(H2,16,20)(H,17,19).
What are the key properties of N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide?
N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide has a molecular weight of 293.44 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide is sourced from PubChem (CID 43269592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).