N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide

C11H18N4O2S — CID 119407113

IUPACN-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
SMILESNCCCNC(=O)CC(NC(N)=O)c1cccs1
InChIInChI=1S/C11H18N4O2S/c12-4-2-5-14-10(16)7-8(15-11(13)17)9-3-1-6-18-9/h1,3,6,8H,2,4-5,7,12H2,(H,14,16)(H3,13,15,17)
InChIKeyRBXNAUPBBCNQCQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.31
Rot. Bonds7

About N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide

N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide (PubChem CID 119407113) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
PubChem CID119407113
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
SMILESNCCCNC(=O)CC(NC(N)=O)c1cccs1
InChIInChI=1S/C11H18N4O2S/c12-4-2-5-14-10(16)7-8(15-11(13)17)9-3-1-6-18-9/h1,3,6,8H,2,4-5,7,12H2,(H,14,16)(H3,13,15,17)
InChIKeyRBXNAUPBBCNQCQ-UHFFFAOYSA-N
XLogP0.31
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]-2,2-dimethylbutanoic acid
CID 122126169
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
3-(carbamoylamino)-N-[3-(furan-2-ylmethoxy)propyl]-3-thiophen-2-ylpropanamide
CID 55501821
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 55951845
3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
CID 134057478
4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43355028
3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide
CID 103919297
3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide
CID 107300399
3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 134003536
[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea
CID 134011246
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide;hydrochloride
CID 119526404

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide (CID 119407113) is N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide is NCCCNC(=O)CC(NC(N)=O)c1cccs1.
What is the InChIKey of N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
The InChIKey is RBXNAUPBBCNQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c12-4-2-5-14-10(16)7-8(15-11(13)17)9-3-1-6-18-9/h1,3,6,8H,2,4-5,7,12H2,(H,14,16)(H3,13,15,17).
What are the key properties of N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide has a molecular weight of 270.36 g/mol, XLogP of 0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 119407113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).