3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide

C10H14ClN3O2S — CID 95278312

IUPAC3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCNC(N)=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClN3O2S/c1-6(7-2-3-8(11)17-7)14-9(15)4-5-13-10(12)16/h2-3,6H,4-5H2,1H3,(H,14,15)(H3,12,13,16)/t6-/m0/s1
InChIKeyRNWSXGSPLAQSBR-LURJTMIESA-N
MW275.76 g/mol
LogP1.64
Rot. Bonds5

About 3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide

3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide (PubChem CID 95278312) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide
PubChem CID95278312
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCNC(N)=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClN3O2S/c1-6(7-2-3-8(11)17-7)14-9(15)4-5-13-10(12)16/h2-3,6H,4-5H2,1H3,(H,14,15)(H3,12,13,16)/t6-/m0/s1
InChIKeyRNWSXGSPLAQSBR-LURJTMIESA-N
XLogP1.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide (CID 95278312) is 3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide is C[C@H](NC(=O)CCNC(N)=O)c1ccc(Cl)s1.
What is the InChIKey of 3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide?
The InChIKey is RNWSXGSPLAQSBR-LURJTMIESA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-6(7-2-3-8(11)17-7)14-9(15)4-5-13-10(12)16/h2-3,6H,4-5H2,1H3,(H,14,15)(H3,12,13,16)/t6-/m0/s1.
What are the key properties of 3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide?
3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide has a molecular weight of 275.76 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 95278312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).