N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

C19H23N3O3S — CID 171646665

IUPACN-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1cnc(=O)[nH]c1SCC(=O)N[C@@H](C)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-12-9-20-19(24)22-18(12)26-11-17(23)21-13(2)15-5-7-16(8-6-15)25-10-14-3-4-14/h5-9,13-14H,3-4,10-11H2,1-2H3,(H,21,23)(H,20,22,24)/t13-/m0/s1
InChIKeyKEZPSCPZXUSRKM-ZDUSSCGKSA-N
MW373.48 g/mol
LogP2.84
Rot. Bonds8

About N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 171646665) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID171646665
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1cnc(=O)[nH]c1SCC(=O)N[C@@H](C)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-12-9-20-19(24)22-18(12)26-11-17(23)21-13(2)15-5-7-16(8-6-15)25-10-14-3-4-14/h5-9,13-14H,3-4,10-11H2,1-2H3,(H,21,23)(H,20,22,24)/t13-/m0/s1
InChIKeyKEZPSCPZXUSRKM-ZDUSSCGKSA-N
XLogP2.84
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide
CID 144603263
N-[(1S)-1-[4-[1-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668621
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide
CID 123659712
N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 50836290
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 92897244
2-(cyclopropylmethylamino)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119720123
2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119748722
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
2-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
N-[1-(4-ethoxyphenyl)ethyl]-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55473948
N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide
CID 70833755

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 171646665) is N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is Cc1cnc(=O)[nH]c1SCC(=O)N[C@@H](C)c1ccc(OCC2CC2)cc1.
What is the InChIKey of N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is KEZPSCPZXUSRKM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12-9-20-19(24)22-18(12)26-11-17(23)21-13(2)15-5-7-16(8-6-15)25-10-14-3-4-14/h5-9,13-14H,3-4,10-11H2,1-2H3,(H,21,23)(H,20,22,24)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 171646665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).