3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide

C15H21N3O5S — CID 42654840

IUPAC3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNC(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H21N3O5S/c1-23-13-4-2-11(3-5-13)17-14(19)6-8-16-15(20)18-12-7-9-24(21,22)10-12/h2-5,12H,6-10H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyUOVJYBORWZMRCP-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.51
Rot. Bonds6

About 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide

3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide (PubChem CID 42654840) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide
PubChem CID42654840
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNC(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H21N3O5S/c1-23-13-4-2-11(3-5-13)17-14(19)6-8-16-15(20)18-12-7-9-24(21,22)10-12/h2-5,12H,6-10H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyUOVJYBORWZMRCP-UHFFFAOYSA-N
XLogP0.51
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N'-(4-methoxyphenyl)oxamide
CID 108502630
1-[(3R)-1,1-dioxothian-3-yl]-3-(4-methoxyphenyl)urea
CID 95628329
4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 39342660
N-(3,5-dichlorophenyl)-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]propanamide
CID 51721555
2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide
CID 75117674
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]propanamide
CID 39336830
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)thiourea
CID 40785237
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
N-[4-[(1,1-dioxothiolan-3-yl)carbamoylamino]phenyl]propanamide
CID 102566392
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9042272
3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 39310298
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(4-methoxyphenyl)propanamide
CID 113121684

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide (CID 42654840) is 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNC(=O)NC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is UOVJYBORWZMRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-23-13-4-2-11(3-5-13)17-14(19)6-8-16-15(20)18-12-7-9-24(21,22)10-12/h2-5,12H,6-10H2,1H3,(H,17,19)(H2,16,18,20).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide?
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 355.42 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 42654840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).