N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide

C15H24N2O3S — CID 107770402

IUPACN-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
SMILESCOc1ccc(NC(=O)CCCSC(C)C(C)O)c(N)c1
InChIInChI=1S/C15H24N2O3S/c1-10(18)11(2)21-8-4-5-15(19)17-14-7-6-12(20-3)9-13(14)16/h6-7,9-11,18H,4-5,8,16H2,1-3H3,(H,17,19)
InChIKeyCIGFSCSKCRXZCX-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.50
Rot. Bonds8

About N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide

N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide (PubChem CID 107770402) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
PubChem CID107770402
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
SMILESCOc1ccc(NC(=O)CCCSC(C)C(C)O)c(N)c1
InChIInChI=1S/C15H24N2O3S/c1-10(18)11(2)21-8-4-5-15(19)17-14-7-6-12(20-3)9-13(14)16/h6-7,9-11,18H,4-5,8,16H2,1-3H3,(H,17,19)
InChIKeyCIGFSCSKCRXZCX-UHFFFAOYSA-N
XLogP2.50
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
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CID 43274979
N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
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N-(2-amino-4-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985312
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CID 43188465
N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide
CID 43615944
N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569669
N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide
CID 18071109
N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide
CID 107753587
N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66276928

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide (CID 107770402) is N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide is COc1ccc(NC(=O)CCCSC(C)C(C)O)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide?
The InChIKey is CIGFSCSKCRXZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10(18)11(2)21-8-4-5-15(19)17-14-7-6-12(20-3)9-13(14)16/h6-7,9-11,18H,4-5,8,16H2,1-3H3,(H,17,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide?
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide has a molecular weight of 312.44 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide is sourced from PubChem (CID 107770402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).