N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide

C14H22N2O3S — CID 61246200

IUPACN-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C14H22N2O3S/c1-10(2)7-12(8-17)16-13(18)3-5-15-14(19)11-4-6-20-9-11/h4,6,9-10,12,17H,3,5,7-8H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyPCDCSADPNBDRIX-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.39
Rot. Bonds8

About N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 61246200) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID61246200
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C14H22N2O3S/c1-10(2)7-12(8-17)16-13(18)3-5-15-14(19)11-4-6-20-9-11/h4,6,9-10,12,17H,3,5,7-8H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyPCDCSADPNBDRIX-UHFFFAOYSA-N
XLogP1.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 61246200) is N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide is CC(C)CC(CO)NC(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is PCDCSADPNBDRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)7-12(8-17)16-13(18)3-5-15-14(19)11-4-6-20-9-11/h4,6,9-10,12,17H,3,5,7-8H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 61246200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).