N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide

C18H26N4O2S — CID 119937198

IUPACN-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(NC(=O)CC1CSCCN1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C18H26N4O2S/c1-12(20-17(23)10-16-11-25-9-8-19-16)13-2-4-14(5-3-13)21-18(24)22-15-6-7-15/h2-5,12,15-16,19H,6-11H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyQYCINRPPWFGJEE-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.24
Rot. Bonds6

About N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide

N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119937198) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119937198
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(NC(=O)CC1CSCCN1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C18H26N4O2S/c1-12(20-17(23)10-16-11-25-9-8-19-16)13-2-4-14(5-3-13)21-18(24)22-15-6-7-15/h2-5,12,15-16,19H,6-11H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyQYCINRPPWFGJEE-UHFFFAOYSA-N
XLogP2.24
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropylcarbamoylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935987
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936283
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119938284
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936282
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937616
2-thiomorpholin-3-yl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119937740
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide (CID 119937198) is N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide is CC(NC(=O)CC1CSCCN1)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is QYCINRPPWFGJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-12(20-17(23)10-16-11-25-9-8-19-16)13-2-4-14(5-3-13)21-18(24)22-15-6-7-15/h2-5,12,15-16,19H,6-11H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide?
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 362.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).