3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide

C16H21N3O4S — CID 55501821

IUPAC3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)NCCCOCc1ccco1)c1cccs1
InChIInChI=1S/C16H21N3O4S/c17-16(21)19-13(14-5-2-9-24-14)10-15(20)18-6-3-7-22-11-12-4-1-8-23-12/h1-2,4-5,8-9,13H,3,6-7,10-11H2,(H,18,20)(H3,17,19,21)
InChIKeyDLYAGAHWKLWMSM-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.16
Rot. Bonds10

About 3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide (PubChem CID 55501821) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide
PubChem CID55501821
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)NCCCOCc1ccco1)c1cccs1
InChIInChI=1S/C16H21N3O4S/c17-16(21)19-13(14-5-2-9-24-14)10-15(20)18-6-3-7-22-11-12-4-1-8-23-12/h1-2,4-5,8-9,13H,3,6-7,10-11H2,(H,18,20)(H3,17,19,21)
InChIKeyDLYAGAHWKLWMSM-UHFFFAOYSA-N
XLogP2.16
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 119407113
N-[3-(furan-2-ylmethoxy)propyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55678324
4-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]-2,2-dimethylbutanoic acid
CID 122126169
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 62800339
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
3-(carbamoylamino)-N-(3-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
CID 47137941
(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide
CID 94193166
2-(butan-2-ylamino)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 60719966
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide
CID 61273619
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide (CID 55501821) is 3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide is NC(=O)NC(CC(=O)NCCCOCc1ccco1)c1cccs1.
What is the InChIKey of 3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide?
The InChIKey is DLYAGAHWKLWMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c17-16(21)19-13(14-5-2-9-24-14)10-15(20)18-6-3-7-22-11-12-4-1-8-23-12/h1-2,4-5,8-9,13H,3,6-7,10-11H2,(H,18,20)(H3,17,19,21).
What are the key properties of 3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide has a molecular weight of 351.43 g/mol, XLogP of 2.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55501821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).